N-[(4-bromo-3-methylphenyl)methyl]-1-(3-chlorophenyl)methanamine

C15H15BrClN — CID 66472041

IUPACN-[(4-bromo-3-methylphenyl)methyl]-1-(3-chlorophenyl)methanamine
SMILESCc1cc(CNCc2cccc(Cl)c2)ccc1Br
InChIInChI=1S/C15H15BrClN/c1-11-7-13(5-6-15(11)16)10-18-9-12-3-2-4-14(17)8-12/h2-8,18H,9-10H2,1H3
InChIKeyLQEYDSSYPPMWON-UHFFFAOYSA-N
MW324.65 g/mol
LogP4.70
Rot. Bonds4

About N-[(4-bromo-3-methylphenyl)methyl]-1-(3-chlorophenyl)methanamine

N-[(4-bromo-3-methylphenyl)methyl]-1-(3-chlorophenyl)methanamine (PubChem CID 66472041) has the molecular formula C15H15BrClN and a molecular weight of 324.65 g/mol. Its IUPAC name is N-[(4-bromo-3-methylphenyl)methyl]-1-(3-chlorophenyl)methanamine.

Molecular Properties

Compound NameN-[(4-bromo-3-methylphenyl)methyl]-1-(3-chlorophenyl)methanamine
PubChem CID66472041
Molecular FormulaC15H15BrClN
Molecular Weight324.65 g/mol
Exact Mass323.01
IUPAC NameN-[(4-bromo-3-methylphenyl)methyl]-1-(3-chlorophenyl)methanamine
SMILESCc1cc(CNCc2cccc(Cl)c2)ccc1Br
InChIInChI=1S/C15H15BrClN/c1-11-7-13(5-6-15(11)16)10-18-9-12-3-2-4-14(17)8-12/h2-8,18H,9-10H2,1H3
InChIKeyLQEYDSSYPPMWON-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-[(4-bromo-3-fluorophenyl)methyl]-1-(3-chlorophenyl)methanamine
CID 78981330
1-(3-chlorophenyl)-N-[(3-methylphenyl)methyl]methanamine
CID 28664098
N-[(4-bromo-3-methylphenyl)methyl]-1-(3-ethoxyphenyl)methanamine
CID 66474852
3-[[(4-bromo-3-methylphenyl)methylamino]methyl]benzenesulfonamide
CID 66474654
1-(3-chlorophenyl)-N-[(3-methylfuran-2-yl)methyl]methanamine
CID 115651182
N-[(4-bromo-3-methylphenyl)methyl]-2-methylpropan-1-amine
CID 66472971
1-(3-bromophenyl)-N-[(4-fluoro-3-methylphenyl)methyl]methanamine
CID 60705124
N-[(5-bromo-2-fluorophenyl)methyl]-1-(4-bromo-3-methylphenyl)methanamine
CID 66472819
N-[(4-bromo-3-methylphenyl)methyl]-2,2,2-trifluoroethanamine
CID 66472165
1-(4-bromo-3-methylphenyl)-N-[(5-bromothiophen-2-yl)methyl]methanamine
CID 66472417
1-(3-chlorophenyl)-N-[(6-methyl-2-pyridinyl)methyl]methanamine
CID 60962175
N-[(4-chloro-3-methylphenyl)methyl]-1-phenylmethanamine
CID 103990933

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromo-3-methylphenyl)methyl]-1-(3-chlorophenyl)methanamine?
The IUPAC name of N-[(4-bromo-3-methylphenyl)methyl]-1-(3-chlorophenyl)methanamine (CID 66472041) is N-[(4-bromo-3-methylphenyl)methyl]-1-(3-chlorophenyl)methanamine.
What is the SMILES notation for N-[(4-bromo-3-methylphenyl)methyl]-1-(3-chlorophenyl)methanamine?
The canonical SMILES for N-[(4-bromo-3-methylphenyl)methyl]-1-(3-chlorophenyl)methanamine is Cc1cc(CNCc2cccc(Cl)c2)ccc1Br.
What is the InChIKey of N-[(4-bromo-3-methylphenyl)methyl]-1-(3-chlorophenyl)methanamine?
The InChIKey is LQEYDSSYPPMWON-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrClN/c1-11-7-13(5-6-15(11)16)10-18-9-12-3-2-4-14(17)8-12/h2-8,18H,9-10H2,1H3.
What are the key properties of N-[(4-bromo-3-methylphenyl)methyl]-1-(3-chlorophenyl)methanamine?
N-[(4-bromo-3-methylphenyl)methyl]-1-(3-chlorophenyl)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 N-[(4-bromo-3-methylphenyl)methyl]-1-(3-chlorophenyl)methanamine is sourced from PubChem (CID 66472041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).