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

C15H16ClN — CID 103990933

IUPACN-[(4-chloro-3-methylphenyl)methyl]-1-phenylmethanamine
SMILESCc1cc(CNCc2ccccc2)ccc1Cl
InChIInChI=1S/C15H16ClN/c1-12-9-14(7-8-15(12)16)11-17-10-13-5-3-2-4-6-13/h2-9,17H,10-11H2,1H3
InChIKeyZWCXFZJAGHEPQG-UHFFFAOYSA-N
MW245.75 g/mol
LogP3.94
Rot. Bonds4

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

N-[(4-chloro-3-methylphenyl)methyl]-1-phenylmethanamine (PubChem CID 103990933) has the molecular formula C15H16ClN and a molecular weight of 245.75 g/mol. Its IUPAC name is N-[(4-chloro-3-methylphenyl)methyl]-1-phenylmethanamine.

Molecular Properties

Compound NameN-[(4-chloro-3-methylphenyl)methyl]-1-phenylmethanamine
PubChem CID103990933
Molecular FormulaC15H16ClN
Molecular Weight245.75 g/mol
Exact Mass245.10
IUPAC NameN-[(4-chloro-3-methylphenyl)methyl]-1-phenylmethanamine
SMILESCc1cc(CNCc2ccccc2)ccc1Cl
InChIInChI=1S/C15H16ClN/c1-12-9-14(7-8-15(12)16)11-17-10-13-5-3-2-4-6-13/h2-9,17H,10-11H2,1H3
InChIKeyZWCXFZJAGHEPQG-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

N-[(4-chloro-3-methylphenyl)methyl]-3-fluoropropan-1-amine
CID 103991396
2-chloro-N-[(4-chloro-3-methylphenyl)methyl]prop-2-en-1-amine
CID 103991295
N'-[(4-chloro-3-methylphenyl)methyl]-N-propylpropane-1,3-diamine
CID 113410258
N-[(4-chloro-3-methylphenyl)methyl]-3-methoxypropan-1-amine
CID 103990923
N-[(4-chloro-3-methylphenyl)methyl]-2-methylsulfonylethanamine
CID 103991082
N-[(3-chloro-5-methylphenyl)methyl]-1-phenylmethanamine
CID 81324019
N-[(4-chloro-3-methylphenyl)methyl]-1-(thietan-3-yl)methanamine
CID 165486662
N-benzyl-1-phenylmethanamine;hydrate
CID 173452781
4-[(benzylamino)methyl]-2,6-dichloroaniline
CID 82833040
N-[(3-chloro-4-fluorophenyl)methyl]-1-(4-fluoro-3-methylphenyl)methanamine
CID 62538091
1-(4-bromophenyl)-N-[(3-chloro-4-methylphenyl)methyl]methanamine
CID 106816098
N-[(3-chloro-4-phenoxyphenyl)methyl]-1-phenylmethanamine
CID 54038698

Frequently Asked Questions

What is the IUPAC name of N-[(4-chloro-3-methylphenyl)methyl]-1-phenylmethanamine?
The IUPAC name of N-[(4-chloro-3-methylphenyl)methyl]-1-phenylmethanamine (CID 103990933) is N-[(4-chloro-3-methylphenyl)methyl]-1-phenylmethanamine.
What is the SMILES notation for N-[(4-chloro-3-methylphenyl)methyl]-1-phenylmethanamine?
The canonical SMILES for N-[(4-chloro-3-methylphenyl)methyl]-1-phenylmethanamine is Cc1cc(CNCc2ccccc2)ccc1Cl.
What is the InChIKey of N-[(4-chloro-3-methylphenyl)methyl]-1-phenylmethanamine?
The InChIKey is ZWCXFZJAGHEPQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClN/c1-12-9-14(7-8-15(12)16)11-17-10-13-5-3-2-4-6-13/h2-9,17H,10-11H2,1H3.
What are the key properties of N-[(4-chloro-3-methylphenyl)methyl]-1-phenylmethanamine?
N-[(4-chloro-3-methylphenyl)methyl]-1-phenylmethanamine 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 N-[(4-chloro-3-methylphenyl)methyl]-1-phenylmethanamine is sourced from PubChem (CID 103990933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).