[4-[[(2-chlorophenyl)methyl-methylamino]methyl]-3-methylphenyl]methanamine

C17H21ClN2 — CID 114478646

IUPAC[4-[[(2-chlorophenyl)methyl-methylamino]methyl]-3-methylphenyl]methanamine
SMILESCc1cc(CN)ccc1CN(C)Cc1ccccc1Cl
InChIInChI=1S/C17H21ClN2/c1-13-9-14(10-19)7-8-15(13)11-20(2)12-16-5-3-4-6-17(16)18/h3-9H,10-12,19H2,1-2H3
InChIKeyUSQWTBGUMNLJDM-UHFFFAOYSA-N
MW288.82 g/mol
LogP3.74
Rot. Bonds5

About [4-[[(2-chlorophenyl)methyl-methylamino]methyl]-3-methylphenyl]methanamine

[4-[[(2-chlorophenyl)methyl-methylamino]methyl]-3-methylphenyl]methanamine (PubChem CID 114478646) has the molecular formula C17H21ClN2 and a molecular weight of 288.82 g/mol. Its IUPAC name is [4-[[(2-chlorophenyl)methyl-methylamino]methyl]-3-methylphenyl]methanamine.

Molecular Properties

Compound Name[4-[[(2-chlorophenyl)methyl-methylamino]methyl]-3-methylphenyl]methanamine
PubChem CID114478646
Molecular FormulaC17H21ClN2
Molecular Weight288.82 g/mol
Exact Mass288.14
IUPAC Name[4-[[(2-chlorophenyl)methyl-methylamino]methyl]-3-methylphenyl]methanamine
SMILESCc1cc(CN)ccc1CN(C)Cc1ccccc1Cl
InChIInChI=1S/C17H21ClN2/c1-13-9-14(10-19)7-8-15(13)11-20(2)12-16-5-3-4-6-17(16)18/h3-9H,10-12,19H2,1-2H3
InChIKeyUSQWTBGUMNLJDM-UHFFFAOYSA-N
XLogP3.74
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.82
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[4-[[(4-ethylphenyl)methyl-methylamino]methyl]-3-methylphenyl]methanamine
CID 114478620
1-(2-chlorophenyl)-N-[(2-chlorophenyl)methyl]-N-methylmethanamine
CID 71304139
[4-[[(2-chlorophenyl)methyl-methylamino]methyl]-2-methoxyphenyl]methanamine
CID 106785291
[5-[[(2-chlorophenyl)methyl-methylamino]methyl]furan-3-yl]methanamine
CID 62412264
[4-methoxy-3-[[methyl-[(2-methylphenyl)methyl]amino]methyl]phenyl]methanamine
CID 62018364
5-(aminomethyl)-N-[(2-chlorophenyl)methyl]-N,3-dimethylpyridin-2-amine
CID 80630348
[4-[[(2,4-dimethylphenyl)methyl-methylamino]methyl]phenyl]methanamine
CID 115213236
N-[[4-(aminomethyl)-2-chlorophenyl]methyl]-2,2-difluoro-N-methylethanamine
CID 102663097
[3-bromo-4-[[(2-bromophenyl)methyl-methylamino]methyl]phenyl]methanamine
CID 102770348
N'-[(2-chlorophenyl)methyl]-N'-methylpropane-1,3-diamine
CID 61417092
1-[[[4-(aminomethyl)-2-methylphenyl]methyl-methylamino]methyl]cyclopentan-1-ol
CID 114948538
N-[(2-bromophenyl)methyl]-1-(2-chlorophenyl)-N-methylmethanamine
CID 60646435

Frequently Asked Questions

What is the IUPAC name of [4-[[(2-chlorophenyl)methyl-methylamino]methyl]-3-methylphenyl]methanamine?
The IUPAC name of [4-[[(2-chlorophenyl)methyl-methylamino]methyl]-3-methylphenyl]methanamine (CID 114478646) is [4-[[(2-chlorophenyl)methyl-methylamino]methyl]-3-methylphenyl]methanamine.
What is the SMILES notation for [4-[[(2-chlorophenyl)methyl-methylamino]methyl]-3-methylphenyl]methanamine?
The canonical SMILES for [4-[[(2-chlorophenyl)methyl-methylamino]methyl]-3-methylphenyl]methanamine is Cc1cc(CN)ccc1CN(C)Cc1ccccc1Cl.
What is the InChIKey of [4-[[(2-chlorophenyl)methyl-methylamino]methyl]-3-methylphenyl]methanamine?
The InChIKey is USQWTBGUMNLJDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClN2/c1-13-9-14(10-19)7-8-15(13)11-20(2)12-16-5-3-4-6-17(16)18/h3-9H,10-12,19H2,1-2H3.
What are the key properties of [4-[[(2-chlorophenyl)methyl-methylamino]methyl]-3-methylphenyl]methanamine?
[4-[[(2-chlorophenyl)methyl-methylamino]methyl]-3-methylphenyl]methanamine has a molecular weight of 288.82 g/mol, XLogP of 3.74, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[(2-chlorophenyl)methyl-methylamino]methyl]-3-methylphenyl]methanamine is sourced from PubChem (CID 114478646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).