1-(3-chlorophenyl)-N-[(3-methylphenyl)methyl]methanamine

C15H16ClN — CID 28664098

IUPAC1-(3-chlorophenyl)-N-[(3-methylphenyl)methyl]methanamine
SMILESCc1cccc(CNCc2cccc(Cl)c2)c1
InChIInChI=1S/C15H16ClN/c1-12-4-2-5-13(8-12)10-17-11-14-6-3-7-15(16)9-14/h2-9,17H,10-11H2,1H3
InChIKeyXFTSIOOHBPWEQZ-UHFFFAOYSA-N
MW245.75 g/mol
LogP3.94
Rot. Bonds4

About 1-(3-chlorophenyl)-N-[(3-methylphenyl)methyl]methanamine

1-(3-chlorophenyl)-N-[(3-methylphenyl)methyl]methanamine (PubChem CID 28664098) has the molecular formula C15H16ClN and a molecular weight of 245.75 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-N-[(3-methylphenyl)methyl]methanamine.

Molecular Properties

Compound Name1-(3-chlorophenyl)-N-[(3-methylphenyl)methyl]methanamine
PubChem CID28664098
Molecular FormulaC15H16ClN
Molecular Weight245.75 g/mol
Exact Mass245.10
IUPAC Name1-(3-chlorophenyl)-N-[(3-methylphenyl)methyl]methanamine
SMILESCc1cccc(CNCc2cccc(Cl)c2)c1
InChIInChI=1S/C15H16ClN/c1-12-4-2-5-13(8-12)10-17-11-14-6-3-7-15(16)9-14/h2-9,17H,10-11H2,1H3
InChIKeyXFTSIOOHBPWEQZ-UHFFFAOYSA-N
XLogP3.94
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.75
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-[4-(chloromethyl)phenyl]-N-[(3-methylphenyl)methyl]methanamine
CID 107233003
1-(2-chloro-4-methylphenyl)-N-[(3-methylphenyl)methyl]methanamine
CID 106862383
5-chloro-2-methyl-N-[(3-methylphenyl)methyl]aniline
CID 28553559
N-[(4-bromo-3-methylphenyl)methyl]-1-(3-chlorophenyl)methanamine
CID 66472041
N-[(3-methylphenyl)methyl]-1-(4-propan-2-ylphenyl)methanamine
CID 29282807
N-[2-(3-chlorophenyl)ethyl]-3-[(3-methylphenyl)methylamino]propanamide
CID 109019632
1-(3-chlorophenyl)-N-[(6-methyl-2-pyridinyl)methyl]methanamine
CID 60962175
2,4-dichloro-6-[[(3-methylphenyl)methylamino]methyl]phenol
CID 28664013
N-[(3-chloro-5-methylphenyl)methyl]-1-phenylmethanamine
CID 81324019
6-chloro-N-[(3-methylphenyl)methyl]hexan-1-amine
CID 107845610
1-(4-chloro-3-nitrophenyl)-N-[(3-methylphenyl)methyl]methanamine
CID 115280467
(1R)-N-[(3-chlorophenyl)methyl]-1-(3-methylphenyl)ethanamine
CID 81363703

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-N-[(3-methylphenyl)methyl]methanamine?
The IUPAC name of 1-(3-chlorophenyl)-N-[(3-methylphenyl)methyl]methanamine (CID 28664098) is 1-(3-chlorophenyl)-N-[(3-methylphenyl)methyl]methanamine.
What is the SMILES notation for 1-(3-chlorophenyl)-N-[(3-methylphenyl)methyl]methanamine?
The canonical SMILES for 1-(3-chlorophenyl)-N-[(3-methylphenyl)methyl]methanamine is Cc1cccc(CNCc2cccc(Cl)c2)c1.
What is the InChIKey of 1-(3-chlorophenyl)-N-[(3-methylphenyl)methyl]methanamine?
The InChIKey is XFTSIOOHBPWEQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClN/c1-12-4-2-5-13(8-12)10-17-11-14-6-3-7-15(16)9-14/h2-9,17H,10-11H2,1H3.
What are the key properties of 1-(3-chlorophenyl)-N-[(3-methylphenyl)methyl]methanamine?
1-(3-chlorophenyl)-N-[(3-methylphenyl)methyl]methanamine has a molecular weight of 245.75 g/mol, XLogP of 3.94, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-N-[(3-methylphenyl)methyl]methanamine is sourced from PubChem (CID 28664098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).