1-(2-chloro-4-methylphenyl)-N-[(3-methylphenyl)methyl]methanamine

C16H18ClN — CID 106862383

IUPAC1-(2-chloro-4-methylphenyl)-N-[(3-methylphenyl)methyl]methanamine
SMILESCc1cccc(CNCc2ccc(C)cc2Cl)c1
InChIInChI=1S/C16H18ClN/c1-12-4-3-5-14(8-12)10-18-11-15-7-6-13(2)9-16(15)17/h3-9,18H,10-11H2,1-2H3
InChIKeyZGYFEELARQDCSV-UHFFFAOYSA-N
MW259.78 g/mol
LogP4.25
Rot. Bonds4

About 1-(2-chloro-4-methylphenyl)-N-[(3-methylphenyl)methyl]methanamine

1-(2-chloro-4-methylphenyl)-N-[(3-methylphenyl)methyl]methanamine (PubChem CID 106862383) has the molecular formula C16H18ClN and a molecular weight of 259.78 g/mol. Its IUPAC name is 1-(2-chloro-4-methylphenyl)-N-[(3-methylphenyl)methyl]methanamine.

Molecular Properties

Compound Name1-(2-chloro-4-methylphenyl)-N-[(3-methylphenyl)methyl]methanamine
PubChem CID106862383
Molecular FormulaC16H18ClN
Molecular Weight259.78 g/mol
Exact Mass259.11
IUPAC Name1-(2-chloro-4-methylphenyl)-N-[(3-methylphenyl)methyl]methanamine
SMILESCc1cccc(CNCc2ccc(C)cc2Cl)c1
InChIInChI=1S/C16H18ClN/c1-12-4-3-5-14(8-12)10-18-11-15-7-6-13(2)9-16(15)17/h3-9,18H,10-11H2,1-2H3
InChIKeyZGYFEELARQDCSV-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

1-(3-chlorophenyl)-N-[(3-methylphenyl)methyl]methanamine
CID 28664098
4-[[(2-chloro-4-methylphenyl)methylamino]methyl]phenol
CID 106863298
1-(2-chloro-4-methylphenyl)-N-[(2-ethylphenyl)methyl]methanamine
CID 106862733
2,4-dichloro-6-[[(3-methylphenyl)methylamino]methyl]phenol
CID 28664013
N-[(2-chloro-4-methylphenyl)methyl]-1-(2-methoxy-4-pyridinyl)methanamine
CID 106862632
1-[4-(chloromethyl)phenyl]-N-[(3-methylphenyl)methyl]methanamine
CID 107233003
2-bromo-N-[(2-chloro-4-methylphenyl)methyl]ethanamine
CID 106869920
2-(3-methylphenyl)-N-[(3-methylphenyl)methyl]ethanamine
CID 55062468
3-chloro-4-[[2-(3-methylphenyl)ethylamino]methyl]benzonitrile
CID 102664430
N-[(2-chloro-4-methylphenyl)methyl]prop-2-yn-1-amine
CID 106862000
N-[(3-methylphenyl)methyl]-1-(4-propan-2-ylphenyl)methanamine
CID 29282807
N'-[(2-chloro-4-methylphenyl)methyl]-N-methylpropane-1,3-diamine
CID 106861235

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-4-methylphenyl)-N-[(3-methylphenyl)methyl]methanamine?
The IUPAC name of 1-(2-chloro-4-methylphenyl)-N-[(3-methylphenyl)methyl]methanamine (CID 106862383) is 1-(2-chloro-4-methylphenyl)-N-[(3-methylphenyl)methyl]methanamine.
What is the SMILES notation for 1-(2-chloro-4-methylphenyl)-N-[(3-methylphenyl)methyl]methanamine?
The canonical SMILES for 1-(2-chloro-4-methylphenyl)-N-[(3-methylphenyl)methyl]methanamine is Cc1cccc(CNCc2ccc(C)cc2Cl)c1.
What is the InChIKey of 1-(2-chloro-4-methylphenyl)-N-[(3-methylphenyl)methyl]methanamine?
The InChIKey is ZGYFEELARQDCSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClN/c1-12-4-3-5-14(8-12)10-18-11-15-7-6-13(2)9-16(15)17/h3-9,18H,10-11H2,1-2H3.
What are the key properties of 1-(2-chloro-4-methylphenyl)-N-[(3-methylphenyl)methyl]methanamine?
1-(2-chloro-4-methylphenyl)-N-[(3-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-(2-chloro-4-methylphenyl)-N-[(3-methylphenyl)methyl]methanamine is sourced from PubChem (CID 106862383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).