1-(2-bromophenyl)-3-phenyl-N-propylpropan-2-amine

C18H22BrN — CID 60817947

IUPAC1-(2-bromophenyl)-3-phenyl-N-propylpropan-2-amine
SMILESCCCNC(Cc1ccccc1)Cc1ccccc1Br
InChIInChI=1S/C18H22BrN/c1-2-12-20-17(13-15-8-4-3-5-9-15)14-16-10-6-7-11-18(16)19/h3-11,17,20H,2,12-14H2,1H3
InChIKeyLAPKGUURXWDSIB-UHFFFAOYSA-N
MW332.28 g/mol
LogP4.60
Rot. Bonds7

About 1-(2-bromophenyl)-3-phenyl-N-propylpropan-2-amine

1-(2-bromophenyl)-3-phenyl-N-propylpropan-2-amine (PubChem CID 60817947) has the molecular formula C18H22BrN and a molecular weight of 332.28 g/mol. Its IUPAC name is 1-(2-bromophenyl)-3-phenyl-N-propylpropan-2-amine.

Molecular Properties

Compound Name1-(2-bromophenyl)-3-phenyl-N-propylpropan-2-amine
PubChem CID60817947
Molecular FormulaC18H22BrN
Molecular Weight332.28 g/mol
Exact Mass331.09
IUPAC Name1-(2-bromophenyl)-3-phenyl-N-propylpropan-2-amine
SMILESCCCNC(Cc1ccccc1)Cc1ccccc1Br
InChIInChI=1S/C18H22BrN/c1-2-12-20-17(13-15-8-4-3-5-9-15)14-16-10-6-7-11-18(16)19/h3-11,17,20H,2,12-14H2,1H3
InChIKeyLAPKGUURXWDSIB-UHFFFAOYSA-N
XLogP4.60
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.28
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2-bromophenyl)-3-(2-fluorophenyl)-N-propylpropan-2-amine
CID 63417230
1-(2-methoxyphenyl)-3-phenyl-N-propylpropan-2-amine
CID 61263835
1-(2,3-difluorophenyl)-3-phenyl-N-propylpropan-2-amine
CID 62601665
[1-(2-bromophenyl)-3-phenylpropan-2-yl]hydrazine
CID 105195397
1-(2-bromophenyl)-4-(2,2-difluoroethoxy)-N-propylbutan-2-amine
CID 103149935
(2R)-3-phenyl-2-(propylamino)propan-1-ol
CID 59859919
1,3-bis(4-bromophenyl)-N-propylpropan-2-amine
CID 60818661
1-(2-bromophenyl)-3-(3,5-dimethylphenyl)-N-ethylpropan-2-amine
CID 63416386
1-(5-bromo-2-pyridinyl)-3-phenyl-N-propylpropan-2-amine
CID 104801214
1-(2-bromophenyl)-3-methyl-N-propylbut-3-en-2-amine
CID 79190752
N-[2-(2-bromophenyl)-1-(4-bromophenyl)ethyl]propan-1-amine
CID 60817936
1-(4-bromophenyl)sulfanyl-3-phenyl-N-propylpropan-2-amine
CID 66055714

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromophenyl)-3-phenyl-N-propylpropan-2-amine?
The IUPAC name of 1-(2-bromophenyl)-3-phenyl-N-propylpropan-2-amine (CID 60817947) is 1-(2-bromophenyl)-3-phenyl-N-propylpropan-2-amine.
What is the SMILES notation for 1-(2-bromophenyl)-3-phenyl-N-propylpropan-2-amine?
The canonical SMILES for 1-(2-bromophenyl)-3-phenyl-N-propylpropan-2-amine is CCCNC(Cc1ccccc1)Cc1ccccc1Br.
What is the InChIKey of 1-(2-bromophenyl)-3-phenyl-N-propylpropan-2-amine?
The InChIKey is LAPKGUURXWDSIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22BrN/c1-2-12-20-17(13-15-8-4-3-5-9-15)14-16-10-6-7-11-18(16)19/h3-11,17,20H,2,12-14H2,1H3.
What are the key properties of 1-(2-bromophenyl)-3-phenyl-N-propylpropan-2-amine?
1-(2-bromophenyl)-3-phenyl-N-propylpropan-2-amine has a molecular weight of 332.28 g/mol, XLogP of 4.60, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromophenyl)-3-phenyl-N-propylpropan-2-amine is sourced from PubChem (CID 60817947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).