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

C17H20BrN — CID 54919438

IUPAC1-(3-bromophenyl)-N-ethyl-3-phenylpropan-1-amine
SMILESCCNC(CCc1ccccc1)c1cccc(Br)c1
InChIInChI=1S/C17H20BrN/c1-2-19-17(15-9-6-10-16(18)13-15)12-11-14-7-4-3-5-8-14/h3-10,13,17,19H,2,11-12H2,1H3
InChIKeyQFUUEURGIGZNCN-UHFFFAOYSA-N
MW318.26 g/mol
LogP4.73
Rot. Bonds6

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

1-(3-bromophenyl)-N-ethyl-3-phenylpropan-1-amine (PubChem CID 54919438) has the molecular formula C17H20BrN and a molecular weight of 318.26 g/mol. Its IUPAC name is 1-(3-bromophenyl)-N-ethyl-3-phenylpropan-1-amine.

Molecular Properties

Compound Name1-(3-bromophenyl)-N-ethyl-3-phenylpropan-1-amine
PubChem CID54919438
Molecular FormulaC17H20BrN
Molecular Weight318.26 g/mol
Exact Mass317.08
IUPAC Name1-(3-bromophenyl)-N-ethyl-3-phenylpropan-1-amine
SMILESCCNC(CCc1ccccc1)c1cccc(Br)c1
InChIInChI=1S/C17H20BrN/c1-2-19-17(15-9-6-10-16(18)13-15)12-11-14-7-4-3-5-8-14/h3-10,13,17,19H,2,11-12H2,1H3
InChIKeyQFUUEURGIGZNCN-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

1-(4-bromo-3-methylphenyl)-N-ethyl-3-phenylpropan-1-amine
CID 115793778
1-(3-bromo-5-chlorophenyl)-N-ethyl-3-phenylpropan-1-amine
CID 107945113
1-(3-bromo-5-fluorophenyl)-N-ethyl-3-phenylpropan-1-amine
CID 66425447
1-(3-bromophenyl)-N-(2-phenylethyl)propan-1-amine
CID 43761869
N-ethyl-3-(3-methoxyphenyl)-1-phenylpropan-1-amine
CID 60996666
1-(3-bromophenyl)-2-(4-bromophenyl)-N-ethylethanamine
CID 60819896
N-ethyl-1-(3-methylphenyl)-4-phenylbutan-1-amine
CID 63413344
1-(3-bromophenyl)-N-ethyl-2-methoxyethanamine
CID 79575057
[1-(3-bromophenyl)-4-phenylbutyl]hydrazine
CID 105197868
N-ethyl-1-(3-ethylphenyl)-3-(2-methylphenyl)propan-1-amine
CID 105171234
4-(3-bromophenyl)-N-ethyl-2-phenylbutan-1-amine
CID 81024527
1-(3-bromophenyl)-N-ethyl-N'-methyl-N'-(3-methylbutan-2-yl)propane-1,3-diamine
CID 63494741

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromophenyl)-N-ethyl-3-phenylpropan-1-amine?
The IUPAC name of 1-(3-bromophenyl)-N-ethyl-3-phenylpropan-1-amine (CID 54919438) is 1-(3-bromophenyl)-N-ethyl-3-phenylpropan-1-amine.
What is the SMILES notation for 1-(3-bromophenyl)-N-ethyl-3-phenylpropan-1-amine?
The canonical SMILES for 1-(3-bromophenyl)-N-ethyl-3-phenylpropan-1-amine is CCNC(CCc1ccccc1)c1cccc(Br)c1.
What is the InChIKey of 1-(3-bromophenyl)-N-ethyl-3-phenylpropan-1-amine?
The InChIKey is QFUUEURGIGZNCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20BrN/c1-2-19-17(15-9-6-10-16(18)13-15)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-ethyl-3-phenylpropan-1-amine?
1-(3-bromophenyl)-N-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 1-(3-bromophenyl)-N-ethyl-3-phenylpropan-1-amine is sourced from PubChem (CID 54919438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).