1-(3-bromophenyl)-N-(2-phenylethyl)propan-1-amine

C17H20BrN — CID 43761869

IUPAC1-(3-bromophenyl)-N-(2-phenylethyl)propan-1-amine
SMILESCCC(NCCc1ccccc1)c1cccc(Br)c1
InChIInChI=1S/C17H20BrN/c1-2-17(15-9-6-10-16(18)13-15)19-12-11-14-7-4-3-5-8-14/h3-10,13,17,19H,2,11-12H2,1H3
InChIKeyCAVKDDLQFFHPKG-UHFFFAOYSA-N
MW318.26 g/mol
LogP4.73
Rot. Bonds6

About 1-(3-bromophenyl)-N-(2-phenylethyl)propan-1-amine

1-(3-bromophenyl)-N-(2-phenylethyl)propan-1-amine (PubChem CID 43761869) has the molecular formula C17H20BrN and a molecular weight of 318.26 g/mol. Its IUPAC name is 1-(3-bromophenyl)-N-(2-phenylethyl)propan-1-amine.

Molecular Properties

Compound Name1-(3-bromophenyl)-N-(2-phenylethyl)propan-1-amine
PubChem CID43761869
Molecular FormulaC17H20BrN
Molecular Weight318.26 g/mol
Exact Mass317.08
IUPAC Name1-(3-bromophenyl)-N-(2-phenylethyl)propan-1-amine
SMILESCCC(NCCc1ccccc1)c1cccc(Br)c1
InChIInChI=1S/C17H20BrN/c1-2-17(15-9-6-10-16(18)13-15)19-12-11-14-7-4-3-5-8-14/h3-10,13,17,19H,2,11-12H2,1H3
InChIKeyCAVKDDLQFFHPKG-UHFFFAOYSA-N
XLogP4.73
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.26
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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1-(4-bromophenyl)-N-[2-(3-methylphenyl)ethyl]propan-1-amine
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N-[2-[1-(3-bromophenyl)propylamino]ethyl]-2-methylpropanamide
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Frequently Asked Questions

What is the IUPAC name of 1-(3-bromophenyl)-N-(2-phenylethyl)propan-1-amine?
The IUPAC name of 1-(3-bromophenyl)-N-(2-phenylethyl)propan-1-amine (CID 43761869) is 1-(3-bromophenyl)-N-(2-phenylethyl)propan-1-amine.
What is the SMILES notation for 1-(3-bromophenyl)-N-(2-phenylethyl)propan-1-amine?
The canonical SMILES for 1-(3-bromophenyl)-N-(2-phenylethyl)propan-1-amine is CCC(NCCc1ccccc1)c1cccc(Br)c1.
What is the InChIKey of 1-(3-bromophenyl)-N-(2-phenylethyl)propan-1-amine?
The InChIKey is CAVKDDLQFFHPKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20BrN/c1-2-17(15-9-6-10-16(18)13-15)19-12-11-14-7-4-3-5-8-14/h3-10,13,17,19H,2,11-12H2,1H3.
What are the key properties of 1-(3-bromophenyl)-N-(2-phenylethyl)propan-1-amine?
1-(3-bromophenyl)-N-(2-phenylethyl)propan-1-amine has a molecular weight of 318.26 g/mol, XLogP of 4.73, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromophenyl)-N-(2-phenylethyl)propan-1-amine is sourced from PubChem (CID 43761869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).