4-(aminomethyl)-N,2-dimethyl-N-phenylaniline

C15H18N2 — CID 60930151

IUPAC4-(aminomethyl)-N,2-dimethyl-N-phenylaniline
SMILESCc1cc(CN)ccc1N(C)c1ccccc1
InChIInChI=1S/C15H18N2/c1-12-10-13(11-16)8-9-15(12)17(2)14-6-4-3-5-7-14/h3-10H,11,16H2,1-2H3
InChIKeyNUKNEEPLZIZCNB-UHFFFAOYSA-N
MW226.32 g/mol
LogP3.22
Rot. Bonds3

About 4-(aminomethyl)-N,2-dimethyl-N-phenylaniline

4-(aminomethyl)-N,2-dimethyl-N-phenylaniline (PubChem CID 60930151) has the molecular formula C15H18N2 and a molecular weight of 226.32 g/mol. Its IUPAC name is 4-(aminomethyl)-N,2-dimethyl-N-phenylaniline.

Molecular Properties

Compound Name4-(aminomethyl)-N,2-dimethyl-N-phenylaniline
PubChem CID60930151
Molecular FormulaC15H18N2
Molecular Weight226.32 g/mol
Exact Mass226.15
IUPAC Name4-(aminomethyl)-N,2-dimethyl-N-phenylaniline
SMILESCc1cc(CN)ccc1N(C)c1ccccc1
InChIInChI=1S/C15H18N2/c1-12-10-13(11-16)8-9-15(12)17(2)14-6-4-3-5-7-14/h3-10H,11,16H2,1-2H3
InChIKeyNUKNEEPLZIZCNB-UHFFFAOYSA-N
XLogP3.22
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(aminomethyl)-N-(4-ethylphenyl)-N,2-dimethylaniline
CID 55209345
4-(chloromethyl)-N,2-dimethyl-N-phenylaniline
CID 55221919
4-(aminomethyl)-N-(2-fluorophenyl)-N,2-dimethylaniline
CID 55207918
4-(aminomethyl)-N-benzyl-N,2-dimethylaniline
CID 60929185
5-(aminomethyl)-N,3-dimethyl-N-phenylpyridin-2-amine
CID 79884611
4-(aminomethyl)-N-ethyl-2-methyl-N-(2-methylphenyl)aniline
CID 60929448
N,10-dimethyl-N-phenylcyclodeca-1,3,5,7,9-pentaen-1-amine
CID 135227535
N-[4-(aminomethyl)phenyl]-N,2,3,4-tetramethylaniline
CID 117041651
N-[4-(aminomethyl)phenyl]-N,3-dimethylaniline
CID 62001605
2-[4-(aminomethyl)-N,2-dimethylanilino]acetamide
CID 60930505
N'-[4-(aminomethyl)-2-methylphenyl]-N,N,N'-trimethylpropane-1,3-diamine
CID 63695102
4-(aminomethyl)-N-[(4-fluorophenyl)methyl]-N,2-dimethylaniline
CID 60929562

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N,2-dimethyl-N-phenylaniline?
The IUPAC name of 4-(aminomethyl)-N,2-dimethyl-N-phenylaniline (CID 60930151) is 4-(aminomethyl)-N,2-dimethyl-N-phenylaniline.
What is the SMILES notation for 4-(aminomethyl)-N,2-dimethyl-N-phenylaniline?
The canonical SMILES for 4-(aminomethyl)-N,2-dimethyl-N-phenylaniline is Cc1cc(CN)ccc1N(C)c1ccccc1.
What is the InChIKey of 4-(aminomethyl)-N,2-dimethyl-N-phenylaniline?
The InChIKey is NUKNEEPLZIZCNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2/c1-12-10-13(11-16)8-9-15(12)17(2)14-6-4-3-5-7-14/h3-10H,11,16H2,1-2H3.
What are the key properties of 4-(aminomethyl)-N,2-dimethyl-N-phenylaniline?
4-(aminomethyl)-N,2-dimethyl-N-phenylaniline has a molecular weight of 226.32 g/mol, XLogP of 3.22, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N,2-dimethyl-N-phenylaniline is sourced from PubChem (CID 60930151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).