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

C16H17BrClN — CID 115567422

IUPACN-[(3-bromo-4-chlorophenyl)-(3-methylphenyl)methyl]ethanamine
SMILESCCNC(c1cccc(C)c1)c1ccc(Cl)c(Br)c1
InChIInChI=1S/C16H17BrClN/c1-3-19-16(12-6-4-5-11(2)9-12)13-7-8-15(18)14(17)10-13/h4-10,16,19H,3H2,1-2H3
InChIKeyJZJJENAOEBOOJA-UHFFFAOYSA-N
MW338.68 g/mol
LogP5.11
Rot. Bonds4

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

N-[(3-bromo-4-chlorophenyl)-(3-methylphenyl)methyl]ethanamine (PubChem CID 115567422) has the molecular formula C16H17BrClN and a molecular weight of 338.68 g/mol. Its IUPAC name is N-[(3-bromo-4-chlorophenyl)-(3-methylphenyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(3-bromo-4-chlorophenyl)-(3-methylphenyl)methyl]ethanamine
PubChem CID115567422
Molecular FormulaC16H17BrClN
Molecular Weight338.68 g/mol
Exact Mass337.02
IUPAC NameN-[(3-bromo-4-chlorophenyl)-(3-methylphenyl)methyl]ethanamine
SMILESCCNC(c1cccc(C)c1)c1ccc(Cl)c(Br)c1
InChIInChI=1S/C16H17BrClN/c1-3-19-16(12-6-4-5-11(2)9-12)13-7-8-15(18)14(17)10-13/h4-10,16,19H,3H2,1-2H3
InChIKeyJZJJENAOEBOOJA-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-bromo-4-chlorophenyl)-(3,4-dimethylphenyl)methyl]ethanamine
CID 115567471
N-[(4-ethylphenyl)-(3-methylphenyl)methyl]ethanamine
CID 43491470
N-[(3-bromo-4-chlorophenyl)-(5-methylfuran-2-yl)methyl]ethanamine
CID 107998702
N-[(3-bromo-4-methylphenyl)-phenylmethyl]ethanamine
CID 81471923
N-[(3-bromo-4-chlorophenyl)-(2,3-dihydro-1H-inden-5-yl)methyl]ethanamine
CID 107998636
N-[(5-methylfuran-3-yl)-(3-methylphenyl)methyl]ethanamine
CID 115790238
N-[(3-bromo-5-methylphenyl)-(3,4-dichlorophenyl)methyl]ethanamine
CID 104851219
N-[(2,5-dibromophenyl)-(3-methylphenyl)methyl]ethanamine
CID 43489695
N-[(3-bromo-4-chlorophenyl)-(2-chloro-4-methoxyphenyl)methyl]ethanamine
CID 107998668
N-[(3-bromo-4-chlorophenyl)-(1-methylpyrazol-4-yl)methyl]ethanamine
CID 113337190
N-[(5-chlorofuran-2-yl)-(3-methylphenyl)methyl]ethanamine
CID 106691457
N-[(3,4-dimethoxyphenyl)-(3-methylphenyl)methyl]ethanamine
CID 43488776

Frequently Asked Questions

What is the IUPAC name of N-[(3-bromo-4-chlorophenyl)-(3-methylphenyl)methyl]ethanamine?
The IUPAC name of N-[(3-bromo-4-chlorophenyl)-(3-methylphenyl)methyl]ethanamine (CID 115567422) is N-[(3-bromo-4-chlorophenyl)-(3-methylphenyl)methyl]ethanamine.
What is the SMILES notation for N-[(3-bromo-4-chlorophenyl)-(3-methylphenyl)methyl]ethanamine?
The canonical SMILES for N-[(3-bromo-4-chlorophenyl)-(3-methylphenyl)methyl]ethanamine is CCNC(c1cccc(C)c1)c1ccc(Cl)c(Br)c1.
What is the InChIKey of N-[(3-bromo-4-chlorophenyl)-(3-methylphenyl)methyl]ethanamine?
The InChIKey is JZJJENAOEBOOJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrClN/c1-3-19-16(12-6-4-5-11(2)9-12)13-7-8-15(18)14(17)10-13/h4-10,16,19H,3H2,1-2H3.
What are the key properties of N-[(3-bromo-4-chlorophenyl)-(3-methylphenyl)methyl]ethanamine?
N-[(3-bromo-4-chlorophenyl)-(3-methylphenyl)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-[(3-bromo-4-chlorophenyl)-(3-methylphenyl)methyl]ethanamine is sourced from PubChem (CID 115567422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).