N-[1-(3-bromophenyl)ethyl]-3-phenylpropan-1-amine

C17H20BrN — CID 43094769

IUPACN-[1-(3-bromophenyl)ethyl]-3-phenylpropan-1-amine
SMILESCC(NCCCc1ccccc1)c1cccc(Br)c1
InChIInChI=1S/C17H20BrN/c1-14(16-10-5-11-17(18)13-16)19-12-6-9-15-7-3-2-4-8-15/h2-5,7-8,10-11,13-14,19H,6,9,12H2,1H3
InChIKeyDLYIGCUPWZRODH-UHFFFAOYSA-N
MW318.26 g/mol
LogP4.73
Rot. Bonds6

About N-[1-(3-bromophenyl)ethyl]-3-phenylpropan-1-amine

N-[1-(3-bromophenyl)ethyl]-3-phenylpropan-1-amine (PubChem CID 43094769) has the molecular formula C17H20BrN and a molecular weight of 318.26 g/mol. Its IUPAC name is N-[1-(3-bromophenyl)ethyl]-3-phenylpropan-1-amine.

Molecular Properties

Compound NameN-[1-(3-bromophenyl)ethyl]-3-phenylpropan-1-amine
PubChem CID43094769
Molecular FormulaC17H20BrN
Molecular Weight318.26 g/mol
Exact Mass317.08
IUPAC NameN-[1-(3-bromophenyl)ethyl]-3-phenylpropan-1-amine
SMILESCC(NCCCc1ccccc1)c1cccc(Br)c1
InChIInChI=1S/C17H20BrN/c1-14(16-10-5-11-17(18)13-16)19-12-6-9-15-7-3-2-4-8-15/h2-5,7-8,10-11,13-14,19H,6,9,12H2,1H3
InChIKeyDLYIGCUPWZRODH-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[(1S)-1-(3-methylphenyl)ethyl]-3-phenylpropan-1-amine
CID 81363177
N-[1-(3-bromophenyl)ethyl]butan-1-amine
CID 43192396
N-[1-(3-methoxyphenyl)ethyl]-3-phenylpropan-1-amine
CID 18357750
N-[(1S)-1-(3-methylphenyl)ethyl]-4-phenylbutan-1-amine
CID 104893840
4-[[(1S)-1-(3-bromophenyl)ethyl]amino]butanoic acid
CID 81382738
4-[1-(3-bromophenyl)ethylamino]butanenitrile
CID 61021299
N-[(1R)-1-(3-bromophenyl)ethyl]-3-methoxypropan-1-amine
CID 28673434
N-[1-(3-bromophenyl)ethyl]-3-methylbutan-1-amine
CID 43193038
N-[(1R)-1-(3-bromophenyl)ethyl]-4,4,4-trifluorobutan-1-amine
CID 115513834
N-[(1R)-1-(3-bromophenyl)ethyl]-4-methoxybutan-1-amine
CID 104647522
(1R)-1-(3-bromophenyl)-N-(2-pyridin-3-ylethyl)ethanamine
CID 81382701
N-[(1S)-1-(3-methoxyphenyl)ethyl]-4-phenylbutan-1-amine
CID 104893847

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-bromophenyl)ethyl]-3-phenylpropan-1-amine?
The IUPAC name of N-[1-(3-bromophenyl)ethyl]-3-phenylpropan-1-amine (CID 43094769) is N-[1-(3-bromophenyl)ethyl]-3-phenylpropan-1-amine.
What is the SMILES notation for N-[1-(3-bromophenyl)ethyl]-3-phenylpropan-1-amine?
The canonical SMILES for N-[1-(3-bromophenyl)ethyl]-3-phenylpropan-1-amine is CC(NCCCc1ccccc1)c1cccc(Br)c1.
What is the InChIKey of N-[1-(3-bromophenyl)ethyl]-3-phenylpropan-1-amine?
The InChIKey is DLYIGCUPWZRODH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20BrN/c1-14(16-10-5-11-17(18)13-16)19-12-6-9-15-7-3-2-4-8-15/h2-5,7-8,10-11,13-14,19H,6,9,12H2,1H3.
What are the key properties of N-[1-(3-bromophenyl)ethyl]-3-phenylpropan-1-amine?
N-[1-(3-bromophenyl)ethyl]-3-phenylpropan-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 N-[1-(3-bromophenyl)ethyl]-3-phenylpropan-1-amine is sourced from PubChem (CID 43094769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).