1-(4-bromo-3-methylphenyl)-N-ethyl-3-phenylpropan-1-amine

C18H22BrN — CID 115793778

IUPAC1-(4-bromo-3-methylphenyl)-N-ethyl-3-phenylpropan-1-amine
SMILESCCNC(CCc1ccccc1)c1ccc(Br)c(C)c1
InChIInChI=1S/C18H22BrN/c1-3-20-18(12-9-15-7-5-4-6-8-15)16-10-11-17(19)14(2)13-16/h4-8,10-11,13,18,20H,3,9,12H2,1-2H3
InChIKeyYMCJNWMUWWHQQS-UHFFFAOYSA-N
MW332.29 g/mol
LogP5.04
Rot. Bonds6

About 1-(4-bromo-3-methylphenyl)-N-ethyl-3-phenylpropan-1-amine

1-(4-bromo-3-methylphenyl)-N-ethyl-3-phenylpropan-1-amine (PubChem CID 115793778) has the molecular formula C18H22BrN and a molecular weight of 332.29 g/mol. Its IUPAC name is 1-(4-bromo-3-methylphenyl)-N-ethyl-3-phenylpropan-1-amine.

Molecular Properties

Compound Name1-(4-bromo-3-methylphenyl)-N-ethyl-3-phenylpropan-1-amine
PubChem CID115793778
Molecular FormulaC18H22BrN
Molecular Weight332.29 g/mol
Exact Mass331.09
IUPAC Name1-(4-bromo-3-methylphenyl)-N-ethyl-3-phenylpropan-1-amine
SMILESCCNC(CCc1ccccc1)c1ccc(Br)c(C)c1
InChIInChI=1S/C18H22BrN/c1-3-20-18(12-9-15-7-5-4-6-8-15)16-10-11-17(19)14(2)13-16/h4-8,10-11,13,18,20H,3,9,12H2,1-2H3
InChIKeyYMCJNWMUWWHQQS-UHFFFAOYSA-N
XLogP5.04
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.29
LogP ≤ 55.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4-bromo-3-methylphenyl)-N-methyl-3-phenylpropan-1-amine
CID 115794186
1-(3-bromophenyl)-N-ethyl-3-phenylpropan-1-amine
CID 54919438
1-(3-bromo-5-fluorophenyl)-N-ethyl-3-phenylpropan-1-amine
CID 66425447
1-(4-bromo-3-methylphenyl)-N-ethyl-5-methylhexan-1-amine
CID 105028649
1-(3-bromo-5-chlorophenyl)-N-ethyl-3-phenylpropan-1-amine
CID 107945113
1-(2,5-dimethylphenyl)-N-ethyl-3-phenylpropan-1-amine
CID 43490830
N-ethyl-1-(3-ethylphenyl)-3-(2-methylphenyl)propan-1-amine
CID 105171234
N-ethyl-1-(4-methylphenyl)-4-phenylbutan-1-amine
CID 63411938
1-(4-bromo-3-chlorophenyl)-N-ethyl-2-phenylethanamine
CID 81296107
1-(4-bromo-3-methylphenyl)-2-(3,5-difluorophenyl)-N-ethylethanamine
CID 105412567
N-ethyl-1-(3-methylphenyl)-4-phenylbutan-1-amine
CID 63413344
1-(4-bromo-3-methylphenyl)-N-ethyl-2-propan-2-yloxyethanamine
CID 105013094

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-3-methylphenyl)-N-ethyl-3-phenylpropan-1-amine?
The IUPAC name of 1-(4-bromo-3-methylphenyl)-N-ethyl-3-phenylpropan-1-amine (CID 115793778) is 1-(4-bromo-3-methylphenyl)-N-ethyl-3-phenylpropan-1-amine.
What is the SMILES notation for 1-(4-bromo-3-methylphenyl)-N-ethyl-3-phenylpropan-1-amine?
The canonical SMILES for 1-(4-bromo-3-methylphenyl)-N-ethyl-3-phenylpropan-1-amine is CCNC(CCc1ccccc1)c1ccc(Br)c(C)c1.
What is the InChIKey of 1-(4-bromo-3-methylphenyl)-N-ethyl-3-phenylpropan-1-amine?
The InChIKey is YMCJNWMUWWHQQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22BrN/c1-3-20-18(12-9-15-7-5-4-6-8-15)16-10-11-17(19)14(2)13-16/h4-8,10-11,13,18,20H,3,9,12H2,1-2H3.
What are the key properties of 1-(4-bromo-3-methylphenyl)-N-ethyl-3-phenylpropan-1-amine?
1-(4-bromo-3-methylphenyl)-N-ethyl-3-phenylpropan-1-amine has a molecular weight of 332.29 g/mol, XLogP of 5.04, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-3-methylphenyl)-N-ethyl-3-phenylpropan-1-amine is sourced from PubChem (CID 115793778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).