4-[(4-amino-3,5-dimethylphenyl)methyl]-2,6-dimethylaniline;4-[2-(4-amino-2-methylphenyl)ethyl]-3-methylaniline;4-[2-(4-amino-3-methylphenyl)ethyl]-2-methylaniline;4-[(4-amino-2-methylphenyl)methyl]-3-methylaniline;4-[(4-amino-3-methylphenyl)methyl]-2-methylaniline;3-[(4-aminophenyl)methyl]aniline;4-[(4-aminophenyl)methyl]aniline;5-[(3-aminophenyl)methyl]-2-methylaniline;methane

C121H150N16 — CID 159203272

IUPAC4-[(4-amino-3,5-dimethylphenyl)methyl]-2,6-dimethylaniline;4-[2-(4-amino-2-methylphenyl)ethyl]-3-methylaniline;4-[2-(4-amino-3-methylphenyl)ethyl]-2-methylaniline;4-[(4-amino-2-methylphenyl)methyl]-3-methylaniline;4-[(4-amino-3-methylphenyl)methyl]-2-methylaniline;3-[(4-aminophenyl)methyl]aniline;4-[(4-aminophenyl)methyl]aniline;5-[(3-aminophenyl)methyl]-2-methylaniline;methane
SMILESC.C.Cc1cc(CCc2ccc(N)c(C)c2)ccc1N.Cc1cc(Cc2cc(C)c(N)c(C)c2)cc(C)c1N.Cc1cc(Cc2ccc(N)c(C)c2)ccc1N.Cc1cc(N)ccc1CCc1ccc(N)cc1C.Cc1cc(N)ccc1Cc1ccc(N)cc1C.Cc1ccc(Cc2cccc(N)c2)cc1N.Nc1ccc(Cc2ccc(N)cc2)cc1.Nc1ccc(Cc2cccc(N)c2)cc1
InChIInChI=1S/C17H22N2.2C16H20N2.2C15H18N2.C14H16N2.2C13H14N2.2CH4/c1-10-5-14(6-11(2)16(10)18)9-15-7-12(3)17(19)13(4)8-15;1-11-9-15(17)7-5-13(11)3-4-14-6-8-16(18)10-12(14)2;1-11-9-13(5-7-15(11)17)3-4-14-6-8-16(18)12(2)10-14;1-10-7-14(16)5-3-12(10)9-13-4-6-15(17)8-11(13)2;1-10-7-12(3-5-14(10)16)9-13-4-6-15(17)11(2)8-13;1-10-5-6-12(9-14(10)16)7-11-3-2-4-13(15)8-11;14-12-5-1-10(2-6-12)9-11-3-7-13(15)8-4-11;14-12-6-4-10(5-7-12)8-11-2-1-3-13(15)9-11;;/h5-8H,9,18-19H2,1-4H3;2*5-10H,3-4,17-18H2,1-2H3;2*3-8H,9,16-17H2,1-2H3;2-6,8-9H,7,15-16H2,1H3;1-8H,9,14-15H2;1-7,9H,8,14-15H2;2*1H4
InChIKeyKPOGILYILRXCJT-UHFFFAOYSA-N
MW1828.64 g/mol
LogP25.20
Rot. Bonds18

About 4-[(4-amino-3,5-dimethylphenyl)methyl]-2,6-dimethylaniline;4-[2-(4-amino-2-methylphenyl)ethyl]-3-methylaniline;4-[2-(4-amino-3-methylphenyl)ethyl]-2-methylaniline;4-[(4-amino-2-methylphenyl)methyl]-3-methylaniline;4-[(4-amino-3-methylphenyl)methyl]-2-methylaniline;3-[(4-aminophenyl)methyl]aniline;4-[(4-aminophenyl)methyl]aniline;5-[(3-aminophenyl)methyl]-2-methylaniline;methane

4-[(4-amino-3,5-dimethylphenyl)methyl]-2,6-dimethylaniline;4-[2-(4-amino-2-methylphenyl)ethyl]-3-methylaniline;4-[2-(4-amino-3-methylphenyl)ethyl]-2-methylaniline;4-[(4-amino-2-methylphenyl)methyl]-3-methylaniline;4-[(4-amino-3-methylphenyl)methyl]-2-methylaniline;3-[(4-aminophenyl)methyl]aniline;4-[(4-aminophenyl)methyl]aniline;5-[(3-aminophenyl)methyl]-2-methylaniline;methane (PubChem CID 159203272) has the molecular formula C121H150N16 and a molecular weight of 1828.64 g/mol. Its IUPAC name is 4-[(4-amino-3,5-dimethylphenyl)methyl]-2,6-dimethylaniline;4-[2-(4-amino-2-methylphenyl)ethyl]-3-methylaniline;4-[2-(4-amino-3-methylphenyl)ethyl]-2-methylaniline;4-[(4-amino-2-methylphenyl)methyl]-3-methylaniline;4-[(4-amino-3-methylphenyl)methyl]-2-methylaniline;3-[(4-aminophenyl)methyl]aniline;4-[(4-aminophenyl)methyl]aniline;5-[(3-aminophenyl)methyl]-2-methylaniline;methane.

Molecular Properties

Compound Name4-[(4-amino-3,5-dimethylphenyl)methyl]-2,6-dimethylaniline;4-[2-(4-amino-2-methylphenyl)ethyl]-3-methylaniline;4-[2-(4-amino-3-methylphenyl)ethyl]-2-methylaniline;4-[(4-amino-2-methylphenyl)methyl]-3-methylaniline;4-[(4-amino-3-methylphenyl)methyl]-2-methylaniline;3-[(4-aminophenyl)methyl]aniline;4-[(4-aminophenyl)methyl]aniline;5-[(3-aminophenyl)methyl]-2-methylaniline;methane
PubChem CID159203272
Molecular FormulaC121H150N16
Molecular Weight1828.64 g/mol
Exact Mass1827.22
IUPAC Name4-[(4-amino-3,5-dimethylphenyl)methyl]-2,6-dimethylaniline;4-[2-(4-amino-2-methylphenyl)ethyl]-3-methylaniline;4-[2-(4-amino-3-methylphenyl)ethyl]-2-methylaniline;4-[(4-amino-2-methylphenyl)methyl]-3-methylaniline;4-[(4-amino-3-methylphenyl)methyl]-2-methylaniline;3-[(4-aminophenyl)methyl]aniline;4-[(4-aminophenyl)methyl]aniline;5-[(3-aminophenyl)methyl]-2-methylaniline;methane
SMILESC.C.Cc1cc(CCc2ccc(N)c(C)c2)ccc1N.Cc1cc(Cc2cc(C)c(N)c(C)c2)cc(C)c1N.Cc1cc(Cc2ccc(N)c(C)c2)ccc1N.Cc1cc(N)ccc1CCc1ccc(N)cc1C.Cc1cc(N)ccc1Cc1ccc(N)cc1C.Cc1ccc(Cc2cccc(N)c2)cc1N.Nc1ccc(Cc2ccc(N)cc2)cc1.Nc1ccc(Cc2cccc(N)c2)cc1
InChIInChI=1S/C17H22N2.2C16H20N2.2C15H18N2.C14H16N2.2C13H14N2.2CH4/c1-10-5-14(6-11(2)16(10)18)9-15-7-12(3)17(19)13(4)8-15;1-11-9-15(17)7-5-13(11)3-4-14-6-8-16(18)10-12(14)2;1-11-9-13(5-7-15(11)17)3-4-14-6-8-16(18)12(2)10-14;1-10-7-14(16)5-3-12(10)9-13-4-6-15(17)8-11(13)2;1-10-7-12(3-5-14(10)16)9-13-4-6-15(17)11(2)8-13;1-10-5-6-12(9-14(10)16)7-11-3-2-4-13(15)8-11;14-12-5-1-10(2-6-12)9-11-3-7-13(15)8-4-11;14-12-6-4-10(5-7-12)8-11-2-1-3-13(15)9-11;;/h5-8H,9,18-19H2,1-4H3;2*5-10H,3-4,17-18H2,1-2H3;2*3-8H,9,16-17H2,1-2H3;2-6,8-9H,7,15-16H2,1H3;1-8H,9,14-15H2;1-7,9H,8,14-15H2;2*1H4
InChIKeyKPOGILYILRXCJT-UHFFFAOYSA-N
XLogP25.20
TPSA416.32 Ų
H-Bond Donors16
H-Bond Acceptors16
Rotatable Bonds18
Heavy Atoms137
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001828.64
LogP ≤ 525.20
H-Bond Donors ≤ 516
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_F(14)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 4-[(4-amino-3,5-dimethylphenyl)methyl]-2,6-dimethylaniline;4-[2-(4-amino-2-methylphenyl)ethyl]-3-methylaniline;4-[2-(4-amino-3-methylphenyl)ethyl]-2-methylaniline;4-[(4-amino-2-methylphenyl)methyl]-3-methylaniline;4-[(4-amino-3-methylphenyl)methyl]-2-methylaniline;3-[(4-aminophenyl)methyl]aniline;4-[(4-aminophenyl)methyl]aniline;5-[(3-aminophenyl)methyl]-2-methylaniline;methane with MolForge

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Related Compounds

4-[[4-amino-3-[[3-amino-5-[(3-aminophenyl)methyl]phenyl]methyl]phenyl]methyl]-2-methylaniline
CID 130251815
4-[[4-[[4-[[4-[[4-[(4-aminophenyl)methyl]phenyl]methyl]-3-methylphenyl]methyl]-2-methylphenyl]methyl]phenyl]methyl]aniline
CID 22920657
4-[[4-[[4-[[4-[[4-[(4-aminophenyl)methyl]-2-methylphenyl]methyl]phenyl]methyl]phenyl]methyl]-3-methylphenyl]methyl]aniline
CID 18976911
4-[[4-[6-[4-[(4-aminophenyl)methyl]-2-methylphenyl]hexyl]-3-methylphenyl]methyl]aniline
CID 18976706
4-[[4-[13-[4-[(4-aminophenyl)methyl]-2-methylphenyl]tridecyl]-3-methylphenyl]methyl]aniline
CID 18976923
2-methyl-5-[2-(3-methylphenyl)ethyl]aniline
CID 143291717
3-[[3-[(3-aminophenyl)methyl]phenyl]methyl]aniline;3-[[3-[(4-aminophenyl)methyl]phenyl]methyl]aniline;3-[[4-[(3-aminophenyl)methyl]phenyl]methyl]aniline;3-[[4-[(4-aminophenyl)methyl]phenyl]methyl]aniline;4-[[3-[(4-aminophenyl)methyl]phenyl]methyl]aniline;4-[[4-[(4-methylphenyl)methyl]phenyl]methyl]aniline
CID 159164219
4-[2-[4-[3-[4-[2-(4-aminophenyl)ethyl]-3-methylphenyl]propyl]-2-methylphenyl]ethyl]aniline
CID 139903339
4-[(3-aminophenyl)methyl]benzene-1,2-diamine;trihydrochloride
CID 18353599
4-[2-[4-[[4-[2-(4-amino-2,5-dimethylphenyl)ethyl]phenyl]methyl]phenyl]ethyl]-2,5-dimethylaniline
CID 139903320
4-benzyl-3-methylaniline
CID 12846586
4-[2-[4-[2-(4-amino-3-methylphenyl)ethyl]phenyl]ethyl]-2-methylaniline
CID 68660073

Frequently Asked Questions

What is the IUPAC name of 4-[(4-amino-3,5-dimethylphenyl)methyl]-2,6-dimethylaniline;4-[2-(4-amino-2-methylphenyl)ethyl]-3-methylaniline;4-[2-(4-amino-3-methylphenyl)ethyl]-2-methylaniline;4-[(4-amino-2-methylphenyl)methyl]-3-methylaniline;4-[(4-amino-3-methylphenyl)methyl]-2-methylaniline;3-[(4-aminophenyl)methyl]aniline;4-[(4-aminophenyl)methyl]aniline;5-[(3-aminophenyl)methyl]-2-methylaniline;methane?
The IUPAC name of 4-[(4-amino-3,5-dimethylphenyl)methyl]-2,6-dimethylaniline;4-[2-(4-amino-2-methylphenyl)ethyl]-3-methylaniline;4-[2-(4-amino-3-methylphenyl)ethyl]-2-methylaniline;4-[(4-amino-2-methylphenyl)methyl]-3-methylaniline;4-[(4-amino-3-methylphenyl)methyl]-2-methylaniline;3-[(4-aminophenyl)methyl]aniline;4-[(4-aminophenyl)methyl]aniline;5-[(3-aminophenyl)methyl]-2-methylaniline;methane (CID 159203272) is 4-[(4-amino-3,5-dimethylphenyl)methyl]-2,6-dimethylaniline;4-[2-(4-amino-2-methylphenyl)ethyl]-3-methylaniline;4-[2-(4-amino-3-methylphenyl)ethyl]-2-methylaniline;4-[(4-amino-2-methylphenyl)methyl]-3-methylaniline;4-[(4-amino-3-methylphenyl)methyl]-2-methylaniline;3-[(4-aminophenyl)methyl]aniline;4-[(4-aminophenyl)methyl]aniline;5-[(3-aminophenyl)methyl]-2-methylaniline;methane.
What is the SMILES notation for 4-[(4-amino-3,5-dimethylphenyl)methyl]-2,6-dimethylaniline;4-[2-(4-amino-2-methylphenyl)ethyl]-3-methylaniline;4-[2-(4-amino-3-methylphenyl)ethyl]-2-methylaniline;4-[(4-amino-2-methylphenyl)methyl]-3-methylaniline;4-[(4-amino-3-methylphenyl)methyl]-2-methylaniline;3-[(4-aminophenyl)methyl]aniline;4-[(4-aminophenyl)methyl]aniline;5-[(3-aminophenyl)methyl]-2-methylaniline;methane?
The canonical SMILES for 4-[(4-amino-3,5-dimethylphenyl)methyl]-2,6-dimethylaniline;4-[2-(4-amino-2-methylphenyl)ethyl]-3-methylaniline;4-[2-(4-amino-3-methylphenyl)ethyl]-2-methylaniline;4-[(4-amino-2-methylphenyl)methyl]-3-methylaniline;4-[(4-amino-3-methylphenyl)methyl]-2-methylaniline;3-[(4-aminophenyl)methyl]aniline;4-[(4-aminophenyl)methyl]aniline;5-[(3-aminophenyl)methyl]-2-methylaniline;methane is C.C.Cc1cc(CCc2ccc(N)c(C)c2)ccc1N.Cc1cc(Cc2cc(C)c(N)c(C)c2)cc(C)c1N.Cc1cc(Cc2ccc(N)c(C)c2)ccc1N.Cc1cc(N)ccc1CCc1ccc(N)cc1C.Cc1cc(N)ccc1Cc1ccc(N)cc1C.Cc1ccc(Cc2cccc(N)c2)cc1N.Nc1ccc(Cc2ccc(N)cc2)cc1.Nc1ccc(Cc2cccc(N)c2)cc1.
What is the InChIKey of 4-[(4-amino-3,5-dimethylphenyl)methyl]-2,6-dimethylaniline;4-[2-(4-amino-2-methylphenyl)ethyl]-3-methylaniline;4-[2-(4-amino-3-methylphenyl)ethyl]-2-methylaniline;4-[(4-amino-2-methylphenyl)methyl]-3-methylaniline;4-[(4-amino-3-methylphenyl)methyl]-2-methylaniline;3-[(4-aminophenyl)methyl]aniline;4-[(4-aminophenyl)methyl]aniline;5-[(3-aminophenyl)methyl]-2-methylaniline;methane?
The InChIKey is KPOGILYILRXCJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2.2C16H20N2.2C15H18N2.C14H16N2.2C13H14N2.2CH4/c1-10-5-14(6-11(2)16(10)18)9-15-7-12(3)17(19)13(4)8-15;1-11-9-15(17)7-5-13(11)3-4-14-6-8-16(18)10-12(14)2;1-11-9-13(5-7-15(11)17)3-4-14-6-8-16(18)12(2)10-14;1-10-7-14(16)5-3-12(10)9-13-4-6-15(17)8-11(13)2;1-10-7-12(3-5-14(10)16)9-13-4-6-15(17)11(2)8-13;1-10-5-6-12(9-14(10)16)7-11-3-2-4-13(15)8-11;14-12-5-1-10(2-6-12)9-11-3-7-13(15)8-4-11;14-12-6-4-10(5-7-12)8-11-2-1-3-13(15)9-11;;/h5-8H,9,18-19H2,1-4H3;2*5-10H,3-4,17-18H2,1-2H3;2*3-8H,9,16-17H2,1-2H3;2-6,8-9H,7,15-16H2,1H3;1-8H,9,14-15H2;1-7,9H,8,14-15H2;2*1H4.
What are the key properties of 4-[(4-amino-3,5-dimethylphenyl)methyl]-2,6-dimethylaniline;4-[2-(4-amino-2-methylphenyl)ethyl]-3-methylaniline;4-[2-(4-amino-3-methylphenyl)ethyl]-2-methylaniline;4-[(4-amino-2-methylphenyl)methyl]-3-methylaniline;4-[(4-amino-3-methylphenyl)methyl]-2-methylaniline;3-[(4-aminophenyl)methyl]aniline;4-[(4-aminophenyl)methyl]aniline;5-[(3-aminophenyl)methyl]-2-methylaniline;methane?
4-[(4-amino-3,5-dimethylphenyl)methyl]-2,6-dimethylaniline;4-[2-(4-amino-2-methylphenyl)ethyl]-3-methylaniline;4-[2-(4-amino-3-methylphenyl)ethyl]-2-methylaniline;4-[(4-amino-2-methylphenyl)methyl]-3-methylaniline;4-[(4-amino-3-methylphenyl)methyl]-2-methylaniline;3-[(4-aminophenyl)methyl]aniline;4-[(4-aminophenyl)methyl]aniline;5-[(3-aminophenyl)methyl]-2-methylaniline;methane has a molecular weight of 1828.64 g/mol, XLogP of 25.20, 18 rotatable bonds, 16 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-amino-3,5-dimethylphenyl)methyl]-2,6-dimethylaniline;4-[2-(4-amino-2-methylphenyl)ethyl]-3-methylaniline;4-[2-(4-amino-3-methylphenyl)ethyl]-2-methylaniline;4-[(4-amino-2-methylphenyl)methyl]-3-methylaniline;4-[(4-amino-3-methylphenyl)methyl]-2-methylaniline;3-[(4-aminophenyl)methyl]aniline;4-[(4-aminophenyl)methyl]aniline;5-[(3-aminophenyl)methyl]-2-methylaniline;methane is sourced from PubChem (CID 159203272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).