1-(4-bromo-2-chlorophenyl)-N-[(2-methylphenyl)methyl]ethanamine

C16H17BrClN — CID 82774819

IUPAC1-(4-bromo-2-chlorophenyl)-N-[(2-methylphenyl)methyl]ethanamine
SMILESCc1ccccc1CNC(C)c1ccc(Br)cc1Cl
InChIInChI=1S/C16H17BrClN/c1-11-5-3-4-6-13(11)10-19-12(2)15-8-7-14(17)9-16(15)18/h3-9,12,19H,10H2,1-2H3
InChIKeyYSNKJXUNMWUXMD-UHFFFAOYSA-N
MW338.68 g/mol
LogP5.26
Rot. Bonds4

About 1-(4-bromo-2-chlorophenyl)-N-[(2-methylphenyl)methyl]ethanamine

1-(4-bromo-2-chlorophenyl)-N-[(2-methylphenyl)methyl]ethanamine (PubChem CID 82774819) has the molecular formula C16H17BrClN and a molecular weight of 338.68 g/mol. Its IUPAC name is 1-(4-bromo-2-chlorophenyl)-N-[(2-methylphenyl)methyl]ethanamine.

Molecular Properties

Compound Name1-(4-bromo-2-chlorophenyl)-N-[(2-methylphenyl)methyl]ethanamine
PubChem CID82774819
Molecular FormulaC16H17BrClN
Molecular Weight338.68 g/mol
Exact Mass337.02
IUPAC Name1-(4-bromo-2-chlorophenyl)-N-[(2-methylphenyl)methyl]ethanamine
SMILESCc1ccccc1CNC(C)c1ccc(Br)cc1Cl
InChIInChI=1S/C16H17BrClN/c1-11-5-3-4-6-13(11)10-19-12(2)15-8-7-14(17)9-16(15)18/h3-9,12,19H,10H2,1-2H3
InChIKeyYSNKJXUNMWUXMD-UHFFFAOYSA-N
XLogP5.26
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 ≤ 55.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-[[1-(4-bromo-2-chlorophenyl)ethylamino]methyl]phenol
CID 114331621
1-(5-bromo-2-fluorophenyl)-N-[(2-methylphenyl)methyl]ethanamine
CID 81301866
1-(4-bromo-2-chlorophenyl)-N-[(2-bromo-5-fluorophenyl)methyl]ethanamine
CID 82774821
(1R)-1-(3-bromophenyl)-N-[(2-methylphenyl)methyl]ethanamine
CID 81371674
N-[(5-bromo-2-fluorophenyl)methyl]-1-(2,4-dichlorophenyl)ethanamine
CID 43078406
1-(4-bromo-2-chlorophenyl)-N-methyl-2-(2-methylphenyl)ethanamine
CID 63527757
1-(4-bromo-2-chlorophenyl)-N-[(3-chlorophenyl)methyl]ethanamine
CID 82774626
(1S)-N-[(4-bromo-2-fluorophenyl)methyl]-1-(2-chlorophenyl)ethanamine
CID 81377623
4-bromo-2-[[[(1R)-1-(2-chlorophenyl)ethyl]amino]methyl]phenol
CID 103578117
(1R)-N-[(4-bromo-2-fluorophenyl)methyl]-1-(2-methylphenyl)ethanamine
CID 81375118
N-[(5-bromo-2-methoxyphenyl)methyl]-1-(2-chlorophenyl)ethanamine
CID 43217091
1-(4-bromo-2-chlorophenyl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]ethanamine
CID 106370599

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-2-chlorophenyl)-N-[(2-methylphenyl)methyl]ethanamine?
The IUPAC name of 1-(4-bromo-2-chlorophenyl)-N-[(2-methylphenyl)methyl]ethanamine (CID 82774819) is 1-(4-bromo-2-chlorophenyl)-N-[(2-methylphenyl)methyl]ethanamine.
What is the SMILES notation for 1-(4-bromo-2-chlorophenyl)-N-[(2-methylphenyl)methyl]ethanamine?
The canonical SMILES for 1-(4-bromo-2-chlorophenyl)-N-[(2-methylphenyl)methyl]ethanamine is Cc1ccccc1CNC(C)c1ccc(Br)cc1Cl.
What is the InChIKey of 1-(4-bromo-2-chlorophenyl)-N-[(2-methylphenyl)methyl]ethanamine?
The InChIKey is YSNKJXUNMWUXMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrClN/c1-11-5-3-4-6-13(11)10-19-12(2)15-8-7-14(17)9-16(15)18/h3-9,12,19H,10H2,1-2H3.
What are the key properties of 1-(4-bromo-2-chlorophenyl)-N-[(2-methylphenyl)methyl]ethanamine?
1-(4-bromo-2-chlorophenyl)-N-[(2-methylphenyl)methyl]ethanamine has a molecular weight of 338.68 g/mol, XLogP of 5.26, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-2-chlorophenyl)-N-[(2-methylphenyl)methyl]ethanamine is sourced from PubChem (CID 82774819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).