N-[(2-bromo-3-methylphenyl)-(3-chlorophenyl)methyl]ethanamine

C16H17BrClN — CID 107984777

IUPACN-[(2-bromo-3-methylphenyl)-(3-chlorophenyl)methyl]ethanamine
SMILESCCNC(c1cccc(Cl)c1)c1cccc(C)c1Br
InChIInChI=1S/C16H17BrClN/c1-3-19-16(12-7-5-8-13(18)10-12)14-9-4-6-11(2)15(14)17/h4-10,16,19H,3H2,1-2H3
InChIKeyCFZJJVUKLAOLKT-UHFFFAOYSA-N
MW338.68 g/mol
LogP5.11
Rot. Bonds4

About N-[(2-bromo-3-methylphenyl)-(3-chlorophenyl)methyl]ethanamine

N-[(2-bromo-3-methylphenyl)-(3-chlorophenyl)methyl]ethanamine (PubChem CID 107984777) has the molecular formula C16H17BrClN and a molecular weight of 338.68 g/mol. Its IUPAC name is N-[(2-bromo-3-methylphenyl)-(3-chlorophenyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(2-bromo-3-methylphenyl)-(3-chlorophenyl)methyl]ethanamine
PubChem CID107984777
Molecular FormulaC16H17BrClN
Molecular Weight338.68 g/mol
Exact Mass337.02
IUPAC NameN-[(2-bromo-3-methylphenyl)-(3-chlorophenyl)methyl]ethanamine
SMILESCCNC(c1cccc(Cl)c1)c1cccc(C)c1Br
InChIInChI=1S/C16H17BrClN/c1-3-19-16(12-7-5-8-13(18)10-12)14-9-4-6-11(2)15(14)17/h4-10,16,19H,3H2,1-2H3
InChIKeyCFZJJVUKLAOLKT-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

N-[(3-chlorophenyl)-(2-fluoro-3-methylphenyl)methyl]ethanamine
CID 115811950
N-[(3-chlorophenyl)-(2,4,5-trimethylphenyl)methyl]ethanamine
CID 64989691
N-[(2-bromo-3-methylphenyl)-(3-ethoxyphenyl)methyl]ethanamine
CID 107985285
N-[(2-bromo-3-methylphenyl)-(5-chloro-2-methoxyphenyl)methyl]ethanamine
CID 107982128
N-[(3-chlorophenyl)-(2,3-dichlorophenyl)methyl]ethanamine
CID 63412201
N-[(3-bromo-4-methoxyphenyl)-(2-bromo-3-methylphenyl)methyl]ethanamine
CID 107981905
N-[(3-chlorophenyl)-(2-methylphenyl)methyl]propan-1-amine
CID 60819696
N-[(2-bromo-3-methylphenyl)-(5-chloro-4-methylthiophen-2-yl)methyl]ethanamine
CID 107982142
N-[(2-bromo-3-methylphenyl)-(3-chloro-4-methylphenyl)methyl]propan-1-amine
CID 107985618
N-[(3,5-dichlorophenyl)-(2,3-dimethylphenyl)methyl]ethanamine
CID 115850439
N-[(5-bromo-4-chlorothiophen-2-yl)-(2-bromo-3-methylphenyl)methyl]ethanamine
CID 107982085
N-[(5-bromo-2-ethoxyphenyl)-(3-chlorophenyl)methyl]ethanamine
CID 43493554

Frequently Asked Questions

What is the IUPAC name of N-[(2-bromo-3-methylphenyl)-(3-chlorophenyl)methyl]ethanamine?
The IUPAC name of N-[(2-bromo-3-methylphenyl)-(3-chlorophenyl)methyl]ethanamine (CID 107984777) is N-[(2-bromo-3-methylphenyl)-(3-chlorophenyl)methyl]ethanamine.
What is the SMILES notation for N-[(2-bromo-3-methylphenyl)-(3-chlorophenyl)methyl]ethanamine?
The canonical SMILES for N-[(2-bromo-3-methylphenyl)-(3-chlorophenyl)methyl]ethanamine is CCNC(c1cccc(Cl)c1)c1cccc(C)c1Br.
What is the InChIKey of N-[(2-bromo-3-methylphenyl)-(3-chlorophenyl)methyl]ethanamine?
The InChIKey is CFZJJVUKLAOLKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrClN/c1-3-19-16(12-7-5-8-13(18)10-12)14-9-4-6-11(2)15(14)17/h4-10,16,19H,3H2,1-2H3.
What are the key properties of N-[(2-bromo-3-methylphenyl)-(3-chlorophenyl)methyl]ethanamine?
N-[(2-bromo-3-methylphenyl)-(3-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-[(2-bromo-3-methylphenyl)-(3-chlorophenyl)methyl]ethanamine is sourced from PubChem (CID 107984777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).