2-(aminomethyl)-N,4-dimethyl-N-(3-methylphenyl)aniline

C16H20N2 — CID 114016646

IUPAC2-(aminomethyl)-N,4-dimethyl-N-(3-methylphenyl)aniline
SMILESCc1cccc(N(C)c2ccc(C)cc2CN)c1
InChIInChI=1S/C16H20N2/c1-12-5-4-6-15(10-12)18(3)16-8-7-13(2)9-14(16)11-17/h4-10H,11,17H2,1-3H3
InChIKeyJMUXDOGVSNGDFC-UHFFFAOYSA-N
MW240.35 g/mol
LogP3.53
Rot. Bonds3

About 2-(aminomethyl)-N,4-dimethyl-N-(3-methylphenyl)aniline

2-(aminomethyl)-N,4-dimethyl-N-(3-methylphenyl)aniline (PubChem CID 114016646) has the molecular formula C16H20N2 and a molecular weight of 240.35 g/mol. Its IUPAC name is 2-(aminomethyl)-N,4-dimethyl-N-(3-methylphenyl)aniline.

Molecular Properties

Compound Name2-(aminomethyl)-N,4-dimethyl-N-(3-methylphenyl)aniline
PubChem CID114016646
Molecular FormulaC16H20N2
Molecular Weight240.35 g/mol
Exact Mass240.16
IUPAC Name2-(aminomethyl)-N,4-dimethyl-N-(3-methylphenyl)aniline
SMILESCc1cccc(N(C)c2ccc(C)cc2CN)c1
InChIInChI=1S/C16H20N2/c1-12-5-4-6-15(10-12)18(3)16-8-7-13(2)9-14(16)11-17/h4-10H,11,17H2,1-3H3
InChIKeyJMUXDOGVSNGDFC-UHFFFAOYSA-N
XLogP3.53
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-(aminomethyl)phenyl]-N,3-dimethylaniline
CID 62001605
4-(2-aminoethyl)-2-chloro-N-methyl-N-(3-methylphenyl)aniline
CID 81166461
N-[4-(aminomethyl)-3-bromophenyl]-N,2,4-trimethylaniline
CID 107274862
3-[2-(aminomethyl)-N-methyl-4-(trifluoromethyl)anilino]phenol
CID 107733662
N-[2-(aminomethyl)-4-methylphenyl]-N-methylcycloheptanamine
CID 114016631
N-methyl-N-(3-methylphenyl)fluoranthen-3-amine
CID 70891339
4-chloro-N-methyl-N-(3-methylphenyl)-2-[(propan-2-ylamino)methyl]aniline
CID 114850493
4,5-dimethoxy-2-N-methyl-2-N-(3-methylphenyl)benzene-1,2-diamine
CID 83001687
2-(aminomethyl)-N-ethyl-5-methoxy-N-(3-methylphenyl)aniline
CID 81300212
2-chloro-4-N,5-dimethyl-4-N-(3-methylphenyl)benzene-1,4-diamine
CID 113334304
2-(aminomethyl)-N-(4-ethylphenyl)-N,5-dimethylaniline
CID 62306578
2-(aminomethyl)-N,4-dimethyl-N-(2-methylbutyl)aniline
CID 107926001

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N,4-dimethyl-N-(3-methylphenyl)aniline?
The IUPAC name of 2-(aminomethyl)-N,4-dimethyl-N-(3-methylphenyl)aniline (CID 114016646) is 2-(aminomethyl)-N,4-dimethyl-N-(3-methylphenyl)aniline.
What is the SMILES notation for 2-(aminomethyl)-N,4-dimethyl-N-(3-methylphenyl)aniline?
The canonical SMILES for 2-(aminomethyl)-N,4-dimethyl-N-(3-methylphenyl)aniline is Cc1cccc(N(C)c2ccc(C)cc2CN)c1.
What is the InChIKey of 2-(aminomethyl)-N,4-dimethyl-N-(3-methylphenyl)aniline?
The InChIKey is JMUXDOGVSNGDFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2/c1-12-5-4-6-15(10-12)18(3)16-8-7-13(2)9-14(16)11-17/h4-10H,11,17H2,1-3H3.
What are the key properties of 2-(aminomethyl)-N,4-dimethyl-N-(3-methylphenyl)aniline?
2-(aminomethyl)-N,4-dimethyl-N-(3-methylphenyl)aniline has a molecular weight of 240.35 g/mol, XLogP of 3.53, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N,4-dimethyl-N-(3-methylphenyl)aniline is sourced from PubChem (CID 114016646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).