N-[(3-aminophenyl)methyl]-4-methoxy-2,5-dimethylaniline

C16H20N2O — CID 115211768

IUPACN-[(3-aminophenyl)methyl]-4-methoxy-2,5-dimethylaniline
SMILESCOc1cc(C)c(NCc2cccc(N)c2)cc1C
InChIInChI=1S/C16H20N2O/c1-11-8-16(19-3)12(2)7-15(11)18-10-13-5-4-6-14(17)9-13/h4-9,18H,10,17H2,1-3H3
InChIKeyFNVUIXRBAXBVNA-UHFFFAOYSA-N
MW256.35 g/mol
LogP3.51
Rot. Bonds4

About N-[(3-aminophenyl)methyl]-4-methoxy-2,5-dimethylaniline

N-[(3-aminophenyl)methyl]-4-methoxy-2,5-dimethylaniline (PubChem CID 115211768) has the molecular formula C16H20N2O and a molecular weight of 256.35 g/mol. Its IUPAC name is N-[(3-aminophenyl)methyl]-4-methoxy-2,5-dimethylaniline.

Molecular Properties

Compound NameN-[(3-aminophenyl)methyl]-4-methoxy-2,5-dimethylaniline
PubChem CID115211768
Molecular FormulaC16H20N2O
Molecular Weight256.35 g/mol
Exact Mass256.16
IUPAC NameN-[(3-aminophenyl)methyl]-4-methoxy-2,5-dimethylaniline
SMILESCOc1cc(C)c(NCc2cccc(N)c2)cc1C
InChIInChI=1S/C16H20N2O/c1-11-8-16(19-3)12(2)7-15(11)18-10-13-5-4-6-14(17)9-13/h4-9,18H,10,17H2,1-3H3
InChIKeyFNVUIXRBAXBVNA-UHFFFAOYSA-N
XLogP3.51
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-[(3-aminophenyl)methyl]-4-methoxy-2,3-dimethylaniline
CID 115211786
N-benzyl-4,5-dimethoxy-2-methylaniline
CID 43230212
N-[(3-bromophenyl)methyl]-4,5-dimethoxy-2-methylaniline
CID 43230231
3-N-[(3-methoxyphenyl)methyl]-4-methylbenzene-1,3-diamine
CID 62589428
N-[(3-aminophenyl)methyl]-5-chloro-2-methylaniline
CID 83960754
N-[(3-aminophenyl)methyl]-4-ethoxy-3-methylaniline
CID 115211777
N-[(3-aminophenyl)methyl]-4-methoxy-3-methylbenzenesulfonamide
CID 43593541
N-[(3,5-dichlorophenyl)methyl]-4,5-dimethoxy-2-methylaniline
CID 60789912
2-N-benzyl-4,5-dimethoxybenzene-1,2-diamine
CID 13230181
2-methoxy-4-methyl-N-[(3-methylphenyl)methyl]aniline
CID 54865901
1-N-(4-methoxy-2,5-dimethylphenyl)propane-1,2-diamine
CID 115196260
2-N-(4-methoxy-2,5-dimethylphenyl)-3-methylbenzene-1,2-diamine
CID 115125930

Frequently Asked Questions

What is the IUPAC name of N-[(3-aminophenyl)methyl]-4-methoxy-2,5-dimethylaniline?
The IUPAC name of N-[(3-aminophenyl)methyl]-4-methoxy-2,5-dimethylaniline (CID 115211768) is N-[(3-aminophenyl)methyl]-4-methoxy-2,5-dimethylaniline.
What is the SMILES notation for N-[(3-aminophenyl)methyl]-4-methoxy-2,5-dimethylaniline?
The canonical SMILES for N-[(3-aminophenyl)methyl]-4-methoxy-2,5-dimethylaniline is COc1cc(C)c(NCc2cccc(N)c2)cc1C.
What is the InChIKey of N-[(3-aminophenyl)methyl]-4-methoxy-2,5-dimethylaniline?
The InChIKey is FNVUIXRBAXBVNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O/c1-11-8-16(19-3)12(2)7-15(11)18-10-13-5-4-6-14(17)9-13/h4-9,18H,10,17H2,1-3H3.
What are the key properties of N-[(3-aminophenyl)methyl]-4-methoxy-2,5-dimethylaniline?
N-[(3-aminophenyl)methyl]-4-methoxy-2,5-dimethylaniline has a molecular weight of 256.35 g/mol, XLogP of 3.51, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-aminophenyl)methyl]-4-methoxy-2,5-dimethylaniline is sourced from PubChem (CID 115211768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).