N-[4-(aminomethyl)phenyl]-N,2,3,4-tetramethylaniline

C17H22N2 — CID 117041651

IUPACN-[4-(aminomethyl)phenyl]-N,2,3,4-tetramethylaniline
SMILESCc1ccc(N(C)c2ccc(CN)cc2)c(C)c1C
InChIInChI=1S/C17H22N2/c1-12-5-10-17(14(3)13(12)2)19(4)16-8-6-15(11-18)7-9-16/h5-10H,11,18H2,1-4H3
InChIKeyXXVCRPIBYIAUTK-UHFFFAOYSA-N
MW254.38 g/mol
LogP3.84
Rot. Bonds3

About N-[4-(aminomethyl)phenyl]-N,2,3,4-tetramethylaniline

N-[4-(aminomethyl)phenyl]-N,2,3,4-tetramethylaniline (PubChem CID 117041651) has the molecular formula C17H22N2 and a molecular weight of 254.38 g/mol. Its IUPAC name is N-[4-(aminomethyl)phenyl]-N,2,3,4-tetramethylaniline.

Molecular Properties

Compound NameN-[4-(aminomethyl)phenyl]-N,2,3,4-tetramethylaniline
PubChem CID117041651
Molecular FormulaC17H22N2
Molecular Weight254.38 g/mol
Exact Mass254.18
IUPAC NameN-[4-(aminomethyl)phenyl]-N,2,3,4-tetramethylaniline
SMILESCc1ccc(N(C)c2ccc(CN)cc2)c(C)c1C
InChIInChI=1S/C17H22N2/c1-12-5-10-17(14(3)13(12)2)19(4)16-8-6-15(11-18)7-9-16/h5-10H,11,18H2,1-4H3
InChIKeyXXVCRPIBYIAUTK-UHFFFAOYSA-N
XLogP3.84
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.38
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[4-(aminomethyl)phenyl]-N,2,3,4-tetramethylaniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-N,4-N-dimethyl-4-N-(2,3,4-trimethylphenyl)benzene-1,4-diamine
CID 117041406
4-(aminomethyl)-N-(4-ethylphenyl)-N,2-dimethylaniline
CID 55209345
4-(aminomethyl)-N,2-dimethyl-N-phenylaniline
CID 60930151
N-[4-(aminomethyl)phenyl]-3-chloro-N-methylpyridin-4-amine
CID 79840601
N-[4-(aminomethyl)phenyl]-N-methyl-4-propylaniline
CID 117041612
N-[4-(aminomethyl)phenyl]-2,5-difluoro-N-methylaniline
CID 117041619
N-[4-(aminomethyl)phenyl]-N,3-dimethylaniline
CID 62001605
4-(aminomethyl)-2-bromo-N-(4-ethylphenyl)-N-methylaniline
CID 103871280
N-[4-(aminomethyl)phenyl]-N,5-dimethylpyrimidin-2-amine
CID 55161656
4-(aminomethyl)-N,N-dimethylaniline;methane;dihydrochloride
CID 123134602
4-(aminomethyl)-2-chloro-N-(4-fluorophenyl)-N-methylaniline
CID 78924390
N,2,3,5,6-pentamethyl-N-(2,3,4-trimethylphenyl)aniline
CID 163804282

Frequently Asked Questions

What is the IUPAC name of N-[4-(aminomethyl)phenyl]-N,2,3,4-tetramethylaniline?
The IUPAC name of N-[4-(aminomethyl)phenyl]-N,2,3,4-tetramethylaniline (CID 117041651) is N-[4-(aminomethyl)phenyl]-N,2,3,4-tetramethylaniline.
What is the SMILES notation for N-[4-(aminomethyl)phenyl]-N,2,3,4-tetramethylaniline?
The canonical SMILES for N-[4-(aminomethyl)phenyl]-N,2,3,4-tetramethylaniline is Cc1ccc(N(C)c2ccc(CN)cc2)c(C)c1C.
What is the InChIKey of N-[4-(aminomethyl)phenyl]-N,2,3,4-tetramethylaniline?
The InChIKey is XXVCRPIBYIAUTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2/c1-12-5-10-17(14(3)13(12)2)19(4)16-8-6-15(11-18)7-9-16/h5-10H,11,18H2,1-4H3.
What are the key properties of N-[4-(aminomethyl)phenyl]-N,2,3,4-tetramethylaniline?
N-[4-(aminomethyl)phenyl]-N,2,3,4-tetramethylaniline has a molecular weight of 254.38 g/mol, XLogP of 3.84, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(aminomethyl)phenyl]-N,2,3,4-tetramethylaniline is sourced from PubChem (CID 117041651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).