1-(4-chloro-2-methylphenyl)-N-[(2-methylphenyl)methyl]methanamine

C16H18ClN — CID 104853852

IUPAC1-(4-chloro-2-methylphenyl)-N-[(2-methylphenyl)methyl]methanamine
SMILESCc1ccccc1CNCc1ccc(Cl)cc1C
InChIInChI=1S/C16H18ClN/c1-12-5-3-4-6-14(12)10-18-11-15-7-8-16(17)9-13(15)2/h3-9,18H,10-11H2,1-2H3
InChIKeyDBRHBQJJMBDMKT-UHFFFAOYSA-N
MW259.78 g/mol
LogP4.25
Rot. Bonds4

About 1-(4-chloro-2-methylphenyl)-N-[(2-methylphenyl)methyl]methanamine

1-(4-chloro-2-methylphenyl)-N-[(2-methylphenyl)methyl]methanamine (PubChem CID 104853852) has the molecular formula C16H18ClN and a molecular weight of 259.78 g/mol. Its IUPAC name is 1-(4-chloro-2-methylphenyl)-N-[(2-methylphenyl)methyl]methanamine.

Molecular Properties

Compound Name1-(4-chloro-2-methylphenyl)-N-[(2-methylphenyl)methyl]methanamine
PubChem CID104853852
Molecular FormulaC16H18ClN
Molecular Weight259.78 g/mol
Exact Mass259.11
IUPAC Name1-(4-chloro-2-methylphenyl)-N-[(2-methylphenyl)methyl]methanamine
SMILESCc1ccccc1CNCc1ccc(Cl)cc1C
InChIInChI=1S/C16H18ClN/c1-12-5-3-4-6-14(12)10-18-11-15-7-8-16(17)9-13(15)2/h3-9,18H,10-11H2,1-2H3
InChIKeyDBRHBQJJMBDMKT-UHFFFAOYSA-N
XLogP4.25
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.78
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(2-bromophenyl)methyl]-1-(4-chloro-2-methylphenyl)methanamine
CID 114075412
1-(4-chloro-2-methylphenyl)-N-[[2-(methoxymethyl)phenyl]methyl]methanamine
CID 104853900
1-(4-chlorophenyl)-N-[(2-methylphenyl)methyl]methanamine
CID 8898296
N-[(5-chloro-2-nitrophenyl)methyl]-1-(2-methylphenyl)methanamine
CID 78998966
N-(4-chloro-2-methylphenyl)-2-[(2-methylphenyl)methylamino]acetamide
CID 108996571
N-[(4-chloro-2-methylphenyl)methyl]but-2-yn-1-amine
CID 104854390
2-[[(2-methylphenyl)methylamino]methyl]phenol
CID 60912930
N-[(4-chloro-2-methylphenyl)methyl]-1-cyclopropylmethanamine
CID 104853922
1-[(4-chloro-2-methylphenyl)methylamino]-2-methylpropan-2-ol
CID 104854183
3-[(4-chloro-2-methylphenyl)methylamino]propan-1-ol
CID 104853816
N-[(2-chlorophenyl)methyl]-1-(2,4-dichlorophenyl)methanamine
CID 4715652
5-chloro-2-(ethylaminomethyl)-N-methyl-N-[(2-methylphenyl)methyl]aniline
CID 114848763

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-2-methylphenyl)-N-[(2-methylphenyl)methyl]methanamine?
The IUPAC name of 1-(4-chloro-2-methylphenyl)-N-[(2-methylphenyl)methyl]methanamine (CID 104853852) is 1-(4-chloro-2-methylphenyl)-N-[(2-methylphenyl)methyl]methanamine.
What is the SMILES notation for 1-(4-chloro-2-methylphenyl)-N-[(2-methylphenyl)methyl]methanamine?
The canonical SMILES for 1-(4-chloro-2-methylphenyl)-N-[(2-methylphenyl)methyl]methanamine is Cc1ccccc1CNCc1ccc(Cl)cc1C.
What is the InChIKey of 1-(4-chloro-2-methylphenyl)-N-[(2-methylphenyl)methyl]methanamine?
The InChIKey is DBRHBQJJMBDMKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClN/c1-12-5-3-4-6-14(12)10-18-11-15-7-8-16(17)9-13(15)2/h3-9,18H,10-11H2,1-2H3.
What are the key properties of 1-(4-chloro-2-methylphenyl)-N-[(2-methylphenyl)methyl]methanamine?
1-(4-chloro-2-methylphenyl)-N-[(2-methylphenyl)methyl]methanamine has a molecular weight of 259.78 g/mol, XLogP of 4.25, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-2-methylphenyl)-N-[(2-methylphenyl)methyl]methanamine is sourced from PubChem (CID 104853852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).