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

C15H15BrClN — CID 106816098

IUPAC1-(4-bromophenyl)-N-[(3-chloro-4-methylphenyl)methyl]methanamine
SMILESCc1ccc(CNCc2ccc(Br)cc2)cc1Cl
InChIInChI=1S/C15H15BrClN/c1-11-2-3-13(8-15(11)17)10-18-9-12-4-6-14(16)7-5-12/h2-8,18H,9-10H2,1H3
InChIKeyUDDZOJUIDXMPCD-UHFFFAOYSA-N
MW324.65 g/mol
LogP4.70
Rot. Bonds4

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

1-(4-bromophenyl)-N-[(3-chloro-4-methylphenyl)methyl]methanamine (PubChem CID 106816098) has the molecular formula C15H15BrClN and a molecular weight of 324.65 g/mol. Its IUPAC name is 1-(4-bromophenyl)-N-[(3-chloro-4-methylphenyl)methyl]methanamine.

Molecular Properties

Compound Name1-(4-bromophenyl)-N-[(3-chloro-4-methylphenyl)methyl]methanamine
PubChem CID106816098
Molecular FormulaC15H15BrClN
Molecular Weight324.65 g/mol
Exact Mass323.01
IUPAC Name1-(4-bromophenyl)-N-[(3-chloro-4-methylphenyl)methyl]methanamine
SMILESCc1ccc(CNCc2ccc(Br)cc2)cc1Cl
InChIInChI=1S/C15H15BrClN/c1-11-2-3-13(8-15(11)17)10-18-9-12-4-6-14(16)7-5-12/h2-8,18H,9-10H2,1H3
InChIKeyUDDZOJUIDXMPCD-UHFFFAOYSA-N
XLogP4.70
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.65
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(3-chloro-4-methylphenyl)methyl]-1-[4-(trifluoromethyl)phenyl]methanamine
CID 106816801
4-[[(3-chloro-4-methylphenyl)methylamino]methyl]benzonitrile
CID 106816587
N-[(3-chloro-4-methylphenyl)methyl]prop-2-yn-1-amine
CID 106815995
1-(4-bromophenyl)-N-[(2,5-dimethylphenyl)methyl]methanamine
CID 54957738
N-[(3-chloro-4-methylphenyl)methyl]-1-(2,3-dihydro-1,4-benzodioxin-6-yl)methanamine
CID 106816117
1-(3-chloro-4-methylphenyl)-N-iodomethanamine
CID 143112650
1-[(3-chloro-4-methylphenyl)methylamino]-2-methylpropan-2-ol
CID 106816878
4-bromo-N-[(3-chloro-4-methylphenyl)methyl]-2,6-difluoroaniline
CID 106816892
2,6-dibromo-N-[(3-chloro-4-methylphenyl)methyl]aniline
CID 107597207
N-[(3-chloro-4-methylphenyl)methyl]-2-ethylsulfonylethanamine
CID 106833820
N-[(3-chloro-4-methylphenyl)methyl]-4-methylpentan-1-amine
CID 106816670
N-[(3-chloro-4-methylphenyl)methyl]-2-methylpropan-2-amine
CID 63195230

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-N-[(3-chloro-4-methylphenyl)methyl]methanamine?
The IUPAC name of 1-(4-bromophenyl)-N-[(3-chloro-4-methylphenyl)methyl]methanamine (CID 106816098) is 1-(4-bromophenyl)-N-[(3-chloro-4-methylphenyl)methyl]methanamine.
What is the SMILES notation for 1-(4-bromophenyl)-N-[(3-chloro-4-methylphenyl)methyl]methanamine?
The canonical SMILES for 1-(4-bromophenyl)-N-[(3-chloro-4-methylphenyl)methyl]methanamine is Cc1ccc(CNCc2ccc(Br)cc2)cc1Cl.
What is the InChIKey of 1-(4-bromophenyl)-N-[(3-chloro-4-methylphenyl)methyl]methanamine?
The InChIKey is UDDZOJUIDXMPCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrClN/c1-11-2-3-13(8-15(11)17)10-18-9-12-4-6-14(16)7-5-12/h2-8,18H,9-10H2,1H3.
What are the key properties of 1-(4-bromophenyl)-N-[(3-chloro-4-methylphenyl)methyl]methanamine?
1-(4-bromophenyl)-N-[(3-chloro-4-methylphenyl)methyl]methanamine has a molecular weight of 324.65 g/mol, XLogP of 4.70, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-N-[(3-chloro-4-methylphenyl)methyl]methanamine is sourced from PubChem (CID 106816098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).