1-(4-bromophenyl)-N-[2-(3-methylphenyl)ethyl]propan-1-amine

C18H22BrN — CID 63478154

IUPAC1-(4-bromophenyl)-N-[2-(3-methylphenyl)ethyl]propan-1-amine
SMILESCCC(NCCc1cccc(C)c1)c1ccc(Br)cc1
InChIInChI=1S/C18H22BrN/c1-3-18(16-7-9-17(19)10-8-16)20-12-11-15-6-4-5-14(2)13-15/h4-10,13,18,20H,3,11-12H2,1-2H3
InChIKeyRZILWVBWIAWEJI-UHFFFAOYSA-N
MW332.29 g/mol
LogP5.04
Rot. Bonds6

About 1-(4-bromophenyl)-N-[2-(3-methylphenyl)ethyl]propan-1-amine

1-(4-bromophenyl)-N-[2-(3-methylphenyl)ethyl]propan-1-amine (PubChem CID 63478154) has the molecular formula C18H22BrN and a molecular weight of 332.29 g/mol. Its IUPAC name is 1-(4-bromophenyl)-N-[2-(3-methylphenyl)ethyl]propan-1-amine.

Molecular Properties

Compound Name1-(4-bromophenyl)-N-[2-(3-methylphenyl)ethyl]propan-1-amine
PubChem CID63478154
Molecular FormulaC18H22BrN
Molecular Weight332.29 g/mol
Exact Mass331.09
IUPAC Name1-(4-bromophenyl)-N-[2-(3-methylphenyl)ethyl]propan-1-amine
SMILESCCC(NCCc1cccc(C)c1)c1ccc(Br)cc1
InChIInChI=1S/C18H22BrN/c1-3-18(16-7-9-17(19)10-8-16)20-12-11-15-6-4-5-14(2)13-15/h4-10,13,18,20H,3,11-12H2,1-2H3
InChIKeyRZILWVBWIAWEJI-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

N-[1-(4-bromophenyl)-2-(3-methylphenyl)ethyl]propan-1-amine
CID 60818106
N-[2-(3-methylphenyl)ethyl]-1-phenylbutan-1-amine
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2-[1-[2-(3-methylphenyl)ethylamino]propyl]phenol
CID 62315349
1-(4-methylphenyl)-N-[(3-methylphenyl)methyl]propan-1-amine
CID 43080790
1-(3-bromophenyl)-N-(2-phenylethyl)propan-1-amine
CID 43761869
2-[[(1R)-1-(4-bromophenyl)propyl]amino]-N-(3-methylphenyl)acetamide
CID 9263477
N-[2-(3-methylphenyl)ethyl]propan-2-amine
CID 62315169
1-(4-ethylphenyl)-N-[2-(3-methylphenyl)ethyl]ethanamine
CID 63477985
1-(4-bromophenyl)-N-[(3-methylphenyl)methyl]ethanamine
CID 43181981
1-[4-(4-bromophenyl)phenyl]-N-propylpropan-1-amine
CID 63888912
3-methyl-N-[2-(3-methylphenyl)ethyl]butan-2-amine
CID 62312988
1-(4-chlorophenyl)-N-[2-(3-methoxyphenyl)ethyl]propan-1-amine
CID 107850157

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-N-[2-(3-methylphenyl)ethyl]propan-1-amine?
The IUPAC name of 1-(4-bromophenyl)-N-[2-(3-methylphenyl)ethyl]propan-1-amine (CID 63478154) is 1-(4-bromophenyl)-N-[2-(3-methylphenyl)ethyl]propan-1-amine.
What is the SMILES notation for 1-(4-bromophenyl)-N-[2-(3-methylphenyl)ethyl]propan-1-amine?
The canonical SMILES for 1-(4-bromophenyl)-N-[2-(3-methylphenyl)ethyl]propan-1-amine is CCC(NCCc1cccc(C)c1)c1ccc(Br)cc1.
What is the InChIKey of 1-(4-bromophenyl)-N-[2-(3-methylphenyl)ethyl]propan-1-amine?
The InChIKey is RZILWVBWIAWEJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22BrN/c1-3-18(16-7-9-17(19)10-8-16)20-12-11-15-6-4-5-14(2)13-15/h4-10,13,18,20H,3,11-12H2,1-2H3.
What are the key properties of 1-(4-bromophenyl)-N-[2-(3-methylphenyl)ethyl]propan-1-amine?
1-(4-bromophenyl)-N-[2-(3-methylphenyl)ethyl]propan-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-bromophenyl)-N-[2-(3-methylphenyl)ethyl]propan-1-amine is sourced from PubChem (CID 63478154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).