5-[(4-methoxy-N-methylanilino)methyl]-2-methylaniline

C16H20N2O — CID 62003414

IUPAC5-[(4-methoxy-N-methylanilino)methyl]-2-methylaniline
SMILESCOc1ccc(N(C)Cc2ccc(C)c(N)c2)cc1
InChIInChI=1S/C16H20N2O/c1-12-4-5-13(10-16(12)17)11-18(2)14-6-8-15(19-3)9-7-14/h4-10H,11,17H2,1-3H3
InChIKeyCJQKJDLVNABFRR-UHFFFAOYSA-N
MW256.35 g/mol
LogP3.22
Rot. Bonds4

About 5-[(4-methoxy-N-methylanilino)methyl]-2-methylaniline

5-[(4-methoxy-N-methylanilino)methyl]-2-methylaniline (PubChem CID 62003414) has the molecular formula C16H20N2O and a molecular weight of 256.35 g/mol. Its IUPAC name is 5-[(4-methoxy-N-methylanilino)methyl]-2-methylaniline.

Molecular Properties

Compound Name5-[(4-methoxy-N-methylanilino)methyl]-2-methylaniline
PubChem CID62003414
Molecular FormulaC16H20N2O
Molecular Weight256.35 g/mol
Exact Mass256.16
IUPAC Name5-[(4-methoxy-N-methylanilino)methyl]-2-methylaniline
SMILESCOc1ccc(N(C)Cc2ccc(C)c(N)c2)cc1
InChIInChI=1S/C16H20N2O/c1-12-4-5-13(10-16(12)17)11-18(2)14-6-8-15(19-3)9-7-14/h4-10H,11,17H2,1-3H3
InChIKeyCJQKJDLVNABFRR-UHFFFAOYSA-N
XLogP3.22
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 53.22
H-Bond Donors ≤ 51
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

5-[(3-methoxy-N-methylanilino)methyl]-2-methylaniline
CID 62004359
5-[(4-ethyl-N-methylanilino)methyl]-2-methylaniline
CID 62003419
2-methoxy-5-[(4-methoxy-N-methylanilino)methyl]phenol
CID 82978512
4-[(4-methoxy-N-methylanilino)methyl]-2-nitroaniline
CID 62208050
1-N-[(4-ethylphenyl)methyl]-1-N,4-dimethylbenzene-1,3-diamine
CID 55130362
4-[(4-methoxy-N-methylanilino)methyl]-N-methylaniline
CID 115212693
4-(bromomethyl)-N-[(4-methoxyphenyl)methyl]-N,3-dimethylaniline
CID 107081032
2-chloro-4-N-[(4-methoxyphenyl)methyl]-4-N,5-dimethylbenzene-1,4-diamine
CID 115554670
2-N-[(4-methoxyphenyl)methyl]-2-N,3-dimethylbenzene-1,2-diamine
CID 115550202
4-[(4-methoxyphenyl)methyl-methylamino]-2-methylbenzenecarboximidamide
CID 81270232
4-[(4-methoxyphenyl)methyl-methylamino]benzoic acid
CID 39369991
4-[(N-methylanilino)methyl]benzene-1,2-diamine
CID 82183980

Frequently Asked Questions

What is the IUPAC name of 5-[(4-methoxy-N-methylanilino)methyl]-2-methylaniline?
The IUPAC name of 5-[(4-methoxy-N-methylanilino)methyl]-2-methylaniline (CID 62003414) is 5-[(4-methoxy-N-methylanilino)methyl]-2-methylaniline.
What is the SMILES notation for 5-[(4-methoxy-N-methylanilino)methyl]-2-methylaniline?
The canonical SMILES for 5-[(4-methoxy-N-methylanilino)methyl]-2-methylaniline is COc1ccc(N(C)Cc2ccc(C)c(N)c2)cc1.
What is the InChIKey of 5-[(4-methoxy-N-methylanilino)methyl]-2-methylaniline?
The InChIKey is CJQKJDLVNABFRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O/c1-12-4-5-13(10-16(12)17)11-18(2)14-6-8-15(19-3)9-7-14/h4-10H,11,17H2,1-3H3.
What are the key properties of 5-[(4-methoxy-N-methylanilino)methyl]-2-methylaniline?
5-[(4-methoxy-N-methylanilino)methyl]-2-methylaniline has a molecular weight of 256.35 g/mol, XLogP of 3.22, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-methoxy-N-methylanilino)methyl]-2-methylaniline is sourced from PubChem (CID 62003414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).