N-[(4-bromo-2-methylphenyl)-(4-chlorophenyl)methyl]ethanamine

C16H17BrClN — CID 43629839

IUPACN-[(4-bromo-2-methylphenyl)-(4-chlorophenyl)methyl]ethanamine
SMILESCCNC(c1ccc(Cl)cc1)c1ccc(Br)cc1C
InChIInChI=1S/C16H17BrClN/c1-3-19-16(12-4-7-14(18)8-5-12)15-9-6-13(17)10-11(15)2/h4-10,16,19H,3H2,1-2H3
InChIKeyCHESUZGNSLIPTN-UHFFFAOYSA-N
MW338.68 g/mol
LogP5.11
Rot. Bonds4

About N-[(4-bromo-2-methylphenyl)-(4-chlorophenyl)methyl]ethanamine

N-[(4-bromo-2-methylphenyl)-(4-chlorophenyl)methyl]ethanamine (PubChem CID 43629839) has the molecular formula C16H17BrClN and a molecular weight of 338.68 g/mol. Its IUPAC name is N-[(4-bromo-2-methylphenyl)-(4-chlorophenyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(4-bromo-2-methylphenyl)-(4-chlorophenyl)methyl]ethanamine
PubChem CID43629839
Molecular FormulaC16H17BrClN
Molecular Weight338.68 g/mol
Exact Mass337.02
IUPAC NameN-[(4-bromo-2-methylphenyl)-(4-chlorophenyl)methyl]ethanamine
SMILESCCNC(c1ccc(Cl)cc1)c1ccc(Br)cc1C
InChIInChI=1S/C16H17BrClN/c1-3-19-16(12-4-7-14(18)8-5-12)15-9-6-13(17)10-11(15)2/h4-10,16,19H,3H2,1-2H3
InChIKeyCHESUZGNSLIPTN-UHFFFAOYSA-N
XLogP5.11
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.68
LogP ≤ 55.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-[(4-Bromophenyl)(4-chlorophenyl)methyl]piperazine
CID 5171490
1-[(4-Bromophenyl)-(4-chlorophenyl)methyl]-4-ethylpiperazine
CID 118109247
N-[(4-bromo-3-chlorophenyl)methyl]-N-(2-phenylbutyl)piperidin-4-amine
CID 166629299
N-(4-bromobenzyl)-N-[2-(2-methylphenyl)ethyl]amine
CID 1825357
N-[(3-bromo-4-chlorophenyl)methyl]-N-(2-phenylethyl)piperidin-4-amine
CID 166629153
N-[(4-bromo-3-chlorophenyl)methyl]-N-(2-methyl-2-phenylpropyl)piperidin-4-amine
CID 166630763
N-[(4-bromo-3-chlorophenyl)methyl]-N-(3-methyl-2-phenylbutyl)piperidin-4-amine
CID 166636598
Phenethylamine, N-(p-bromobenzyl)-alpha-methyl-, hydrochloride, (+)-
CID 203657
3-(3-Bromo-5-fluorophenyl)-4-(4-chlorophenyl)butan-2-amine
CID 22270718
(2S)-3-(3-bromophenyl)-4-(4-chlorophenyl)-3-fluorobutan-2-amine
CID 59682348
(2R,3R)-2-(4-bromo-2-fluorophenyl)-3-(4-chloro-3-fluorophenyl)-2-methylaziridine
CID 123921668
N-[1-[3-(5-bromo-2-methylphenyl)-5-chloro-2-methylphenyl]ethenyl]-2,2-difluoroethanamine
CID 156050758

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromo-2-methylphenyl)-(4-chlorophenyl)methyl]ethanamine?
The IUPAC name of N-[(4-bromo-2-methylphenyl)-(4-chlorophenyl)methyl]ethanamine (CID 43629839) is N-[(4-bromo-2-methylphenyl)-(4-chlorophenyl)methyl]ethanamine.
What is the SMILES notation for N-[(4-bromo-2-methylphenyl)-(4-chlorophenyl)methyl]ethanamine?
The canonical SMILES for N-[(4-bromo-2-methylphenyl)-(4-chlorophenyl)methyl]ethanamine is CCNC(c1ccc(Cl)cc1)c1ccc(Br)cc1C.
What is the InChIKey of N-[(4-bromo-2-methylphenyl)-(4-chlorophenyl)methyl]ethanamine?
The InChIKey is CHESUZGNSLIPTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrClN/c1-3-19-16(12-4-7-14(18)8-5-12)15-9-6-13(17)10-11(15)2/h4-10,16,19H,3H2,1-2H3.
What are the key properties of N-[(4-bromo-2-methylphenyl)-(4-chlorophenyl)methyl]ethanamine?
N-[(4-bromo-2-methylphenyl)-(4-chlorophenyl)methyl]ethanamine has a molecular weight of 338.68 g/mol, XLogP of 5.11, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromo-2-methylphenyl)-(4-chlorophenyl)methyl]ethanamine is sourced from PubChem (CID 43629839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).