2-(aminomethyl)-N-[1-(3-chlorophenyl)ethyl]-N,6-dimethylaniline

C17H21ClN2 — CID 107105687

IUPAC2-(aminomethyl)-N-[1-(3-chlorophenyl)ethyl]-N,6-dimethylaniline
SMILESCc1cccc(CN)c1N(C)C(C)c1cccc(Cl)c1
InChIInChI=1S/C17H21ClN2/c1-12-6-4-8-15(11-19)17(12)20(3)13(2)14-7-5-9-16(18)10-14/h4-10,13H,11,19H2,1-3H3
InChIKeyZBRBCGGVEAGRSQ-UHFFFAOYSA-N
MW288.82 g/mol
LogP4.30
Rot. Bonds4

About 2-(aminomethyl)-N-[1-(3-chlorophenyl)ethyl]-N,6-dimethylaniline

2-(aminomethyl)-N-[1-(3-chlorophenyl)ethyl]-N,6-dimethylaniline (PubChem CID 107105687) has the molecular formula C17H21ClN2 and a molecular weight of 288.82 g/mol. Its IUPAC name is 2-(aminomethyl)-N-[1-(3-chlorophenyl)ethyl]-N,6-dimethylaniline.

Molecular Properties

Compound Name2-(aminomethyl)-N-[1-(3-chlorophenyl)ethyl]-N,6-dimethylaniline
PubChem CID107105687
Molecular FormulaC17H21ClN2
Molecular Weight288.82 g/mol
Exact Mass288.14
IUPAC Name2-(aminomethyl)-N-[1-(3-chlorophenyl)ethyl]-N,6-dimethylaniline
SMILESCc1cccc(CN)c1N(C)C(C)c1cccc(Cl)c1
InChIInChI=1S/C17H21ClN2/c1-12-6-4-8-15(11-19)17(12)20(3)13(2)14-7-5-9-16(18)10-14/h4-10,13H,11,19H2,1-3H3
InChIKeyZBRBCGGVEAGRSQ-UHFFFAOYSA-N
XLogP4.30
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.82
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[2-(aminomethyl)-N,6-dimethylanilino]propan-1-ol
CID 107105810
2-(aminomethyl)-N,6-dimethyl-N-(2-methylpropyl)aniline
CID 107105504
4-(bromomethyl)-N-[1-(3-chlorophenyl)ethyl]-N,3-dimethylaniline
CID 107083095
4-(aminomethyl)-2-chloro-N-[1-(3-chlorophenyl)ethyl]-N-methylaniline
CID 63087520
4-(aminomethyl)-N-[1-(3-chlorophenyl)ethyl]-N,1,3-trimethylpyrazol-5-amine
CID 62979203
[4-[1-(3-chlorophenyl)ethyl-methylamino]-3,5-difluorophenyl]methanol
CID 63075837
6-(aminomethyl)-5-chloro-N-[1-(3-chlorophenyl)ethyl]-N-methylpyridin-2-amine
CID 62984551
2-N-[1-(4-chlorophenyl)ethyl]-2-N,3-dimethylbenzene-1,2-diamine
CID 115550477
4-[(1S)-1-aminoethyl]-N-[1-(3-chlorophenyl)ethyl]-N-methylaniline
CID 63369064
2-N-[1-(3-chlorophenyl)ethyl]-3-methoxy-2-N-methylpropane-1,2-diamine
CID 103226414
N'-[1-(3-chlorophenyl)ethyl]-N'-methyl-2-methylidenepropane-1,3-diamine
CID 103070459
2-N-[1-(3-chlorophenyl)ethyl]-2-N-methyl-3-phenylpropane-1,2-diamine
CID 62979844

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-[1-(3-chlorophenyl)ethyl]-N,6-dimethylaniline?
The IUPAC name of 2-(aminomethyl)-N-[1-(3-chlorophenyl)ethyl]-N,6-dimethylaniline (CID 107105687) is 2-(aminomethyl)-N-[1-(3-chlorophenyl)ethyl]-N,6-dimethylaniline.
What is the SMILES notation for 2-(aminomethyl)-N-[1-(3-chlorophenyl)ethyl]-N,6-dimethylaniline?
The canonical SMILES for 2-(aminomethyl)-N-[1-(3-chlorophenyl)ethyl]-N,6-dimethylaniline is Cc1cccc(CN)c1N(C)C(C)c1cccc(Cl)c1.
What is the InChIKey of 2-(aminomethyl)-N-[1-(3-chlorophenyl)ethyl]-N,6-dimethylaniline?
The InChIKey is ZBRBCGGVEAGRSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClN2/c1-12-6-4-8-15(11-19)17(12)20(3)13(2)14-7-5-9-16(18)10-14/h4-10,13H,11,19H2,1-3H3.
What are the key properties of 2-(aminomethyl)-N-[1-(3-chlorophenyl)ethyl]-N,6-dimethylaniline?
2-(aminomethyl)-N-[1-(3-chlorophenyl)ethyl]-N,6-dimethylaniline has a molecular weight of 288.82 g/mol, XLogP of 4.30, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-[1-(3-chlorophenyl)ethyl]-N,6-dimethylaniline is sourced from PubChem (CID 107105687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).