2-(aminomethyl)-N-[1-(2-chlorophenyl)ethyl]-N,4-dimethylaniline

C17H21ClN2 — CID 107926195

IUPAC2-(aminomethyl)-N-[1-(2-chlorophenyl)ethyl]-N,4-dimethylaniline
SMILESCc1ccc(N(C)C(C)c2ccccc2Cl)c(CN)c1
InChIInChI=1S/C17H21ClN2/c1-12-8-9-17(14(10-12)11-19)20(3)13(2)15-6-4-5-7-16(15)18/h4-10,13H,11,19H2,1-3H3
InChIKeyWXDGUIUKSNZJQH-UHFFFAOYSA-N
MW288.82 g/mol
LogP4.30
Rot. Bonds4

About 2-(aminomethyl)-N-[1-(2-chlorophenyl)ethyl]-N,4-dimethylaniline

2-(aminomethyl)-N-[1-(2-chlorophenyl)ethyl]-N,4-dimethylaniline (PubChem CID 107926195) has the molecular formula C17H21ClN2 and a molecular weight of 288.82 g/mol. Its IUPAC name is 2-(aminomethyl)-N-[1-(2-chlorophenyl)ethyl]-N,4-dimethylaniline.

Molecular Properties

Compound Name2-(aminomethyl)-N-[1-(2-chlorophenyl)ethyl]-N,4-dimethylaniline
PubChem CID107926195
Molecular FormulaC17H21ClN2
Molecular Weight288.82 g/mol
Exact Mass288.14
IUPAC Name2-(aminomethyl)-N-[1-(2-chlorophenyl)ethyl]-N,4-dimethylaniline
SMILESCc1ccc(N(C)C(C)c2ccccc2Cl)c(CN)c1
InChIInChI=1S/C17H21ClN2/c1-12-8-9-17(14(10-12)11-19)20(3)13(2)15-6-4-5-7-16(15)18/h4-10,13H,11,19H2,1-3H3
InChIKeyWXDGUIUKSNZJQH-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-(aminomethyl)-N-[1-(2-fluorophenyl)ethyl]-N,5-dimethylaniline
CID 62980338
2-[1-(2-chlorophenyl)ethyl-methylamino]-5-methylbenzenecarboximidamide
CID 107930491
4-chloro-1-N-[1-(2-chlorophenyl)ethyl]-1-N-methylbenzene-1,2-diamine
CID 55141046
2-(2-aminoethyl)-3-chloro-N-[1-(2-chlorophenyl)ethyl]-N-methylaniline
CID 63783609
3-(aminomethyl)-N-[1-(2-chlorophenyl)ethyl]-N-methylpyridin-2-amine
CID 62980697
5-(aminomethyl)-N-[1-(2-chlorophenyl)ethyl]-N,4-dimethylpyrimidin-2-amine
CID 83186254
N-[[2-(aminomethyl)phenyl]methyl]-1-(2-chlorophenyl)-N-methylethanamine
CID 62980012
2-(aminomethyl)-N,4-dimethyl-N-(2-methylbutyl)aniline
CID 107926001
(1S)-1-[2-[1-(2-chlorophenyl)ethyl-methylamino]phenyl]ethanol
CID 63371731
[2-(2-chlorophenoxy)-5-methylphenyl]methanamine
CID 107926487
(1R)-1-[2-[1-(2-chlorophenyl)ethyl-methylamino]-5-fluorophenyl]ethanol
CID 63371749
3-chloro-4-[1-(2-chlorophenyl)ethyl-methylamino]benzaldehyde
CID 81145708

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-[1-(2-chlorophenyl)ethyl]-N,4-dimethylaniline?
The IUPAC name of 2-(aminomethyl)-N-[1-(2-chlorophenyl)ethyl]-N,4-dimethylaniline (CID 107926195) is 2-(aminomethyl)-N-[1-(2-chlorophenyl)ethyl]-N,4-dimethylaniline.
What is the SMILES notation for 2-(aminomethyl)-N-[1-(2-chlorophenyl)ethyl]-N,4-dimethylaniline?
The canonical SMILES for 2-(aminomethyl)-N-[1-(2-chlorophenyl)ethyl]-N,4-dimethylaniline is Cc1ccc(N(C)C(C)c2ccccc2Cl)c(CN)c1.
What is the InChIKey of 2-(aminomethyl)-N-[1-(2-chlorophenyl)ethyl]-N,4-dimethylaniline?
The InChIKey is WXDGUIUKSNZJQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClN2/c1-12-8-9-17(14(10-12)11-19)20(3)13(2)15-6-4-5-7-16(15)18/h4-10,13H,11,19H2,1-3H3.
What are the key properties of 2-(aminomethyl)-N-[1-(2-chlorophenyl)ethyl]-N,4-dimethylaniline?
2-(aminomethyl)-N-[1-(2-chlorophenyl)ethyl]-N,4-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-(2-chlorophenyl)ethyl]-N,4-dimethylaniline is sourced from PubChem (CID 107926195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).