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

C15H15BrClN — CID 114075412

IUPACN-[(2-bromophenyl)methyl]-1-(4-chloro-2-methylphenyl)methanamine
SMILESCc1cc(Cl)ccc1CNCc1ccccc1Br
InChIInChI=1S/C15H15BrClN/c1-11-8-14(17)7-6-12(11)9-18-10-13-4-2-3-5-15(13)16/h2-8,18H,9-10H2,1H3
InChIKeyGEJMMSPQVAZLAI-UHFFFAOYSA-N
MW324.65 g/mol
LogP4.70
Rot. Bonds4

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

N-[(2-bromophenyl)methyl]-1-(4-chloro-2-methylphenyl)methanamine (PubChem CID 114075412) has the molecular formula C15H15BrClN and a molecular weight of 324.65 g/mol. Its IUPAC name is N-[(2-bromophenyl)methyl]-1-(4-chloro-2-methylphenyl)methanamine.

Molecular Properties

Compound NameN-[(2-bromophenyl)methyl]-1-(4-chloro-2-methylphenyl)methanamine
PubChem CID114075412
Molecular FormulaC15H15BrClN
Molecular Weight324.65 g/mol
Exact Mass323.01
IUPAC NameN-[(2-bromophenyl)methyl]-1-(4-chloro-2-methylphenyl)methanamine
SMILESCc1cc(Cl)ccc1CNCc1ccccc1Br
InChIInChI=1S/C15H15BrClN/c1-11-8-14(17)7-6-12(11)9-18-10-13-4-2-3-5-15(13)16/h2-8,18H,9-10H2,1H3
InChIKeyGEJMMSPQVAZLAI-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

1-(4-chloro-2-methylphenyl)-N-[(2-methylphenyl)methyl]methanamine
CID 104853852
1-(4-chloro-2-methylphenyl)-N-[[2-(methoxymethyl)phenyl]methyl]methanamine
CID 104853900
N-[(2-bromophenyl)methyl]-1-(3-fluoro-4-methylphenyl)methanamine
CID 60701425
1-[(2-bromophenyl)methyl]-3-(4-chloro-2-methylphenyl)thiourea
CID 3482975
3-[(4-chloro-2-methylphenyl)methylamino]propane-1-sulfonamide
CID 114075417
N-[(2-bromo-4-chlorophenyl)methyl]ethanamine
CID 81497013
N-[(4-chloro-2-methylphenyl)methyl]but-2-yn-1-amine
CID 104854390
2-[(2-bromophenyl)methylamino]-N-(3-chlorophenyl)acetamide
CID 61401955
N-[(2-bromo-5-chlorophenyl)methyl]-1-[2-(ethoxymethyl)phenyl]methanamine
CID 66158776
1-(4-chlorophenyl)-N-[(2-methylphenyl)methyl]methanamine
CID 8898296
N-[(4-chloro-2-methylphenyl)methyl]-1-cyclopropylmethanamine
CID 104853922
1-[(4-chloro-2-methylphenyl)methylamino]-2-methylpropan-2-ol
CID 104854183

Frequently Asked Questions

What is the IUPAC name of N-[(2-bromophenyl)methyl]-1-(4-chloro-2-methylphenyl)methanamine?
The IUPAC name of N-[(2-bromophenyl)methyl]-1-(4-chloro-2-methylphenyl)methanamine (CID 114075412) is N-[(2-bromophenyl)methyl]-1-(4-chloro-2-methylphenyl)methanamine.
What is the SMILES notation for N-[(2-bromophenyl)methyl]-1-(4-chloro-2-methylphenyl)methanamine?
The canonical SMILES for N-[(2-bromophenyl)methyl]-1-(4-chloro-2-methylphenyl)methanamine is Cc1cc(Cl)ccc1CNCc1ccccc1Br.
What is the InChIKey of N-[(2-bromophenyl)methyl]-1-(4-chloro-2-methylphenyl)methanamine?
The InChIKey is GEJMMSPQVAZLAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrClN/c1-11-8-14(17)7-6-12(11)9-18-10-13-4-2-3-5-15(13)16/h2-8,18H,9-10H2,1H3.
What are the key properties of N-[(2-bromophenyl)methyl]-1-(4-chloro-2-methylphenyl)methanamine?
N-[(2-bromophenyl)methyl]-1-(4-chloro-2-methylphenyl)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-[(2-bromophenyl)methyl]-1-(4-chloro-2-methylphenyl)methanamine is sourced from PubChem (CID 114075412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).