3-(4-bromophenyl)-2-phenyl-N-propylpropan-1-amine

C18H22BrN — CID 65429859

IUPAC3-(4-bromophenyl)-2-phenyl-N-propylpropan-1-amine
SMILESCCCNCC(Cc1ccc(Br)cc1)c1ccccc1
InChIInChI=1S/C18H22BrN/c1-2-12-20-14-17(16-6-4-3-5-7-16)13-15-8-10-18(19)11-9-15/h3-11,17,20H,2,12-14H2,1H3
InChIKeyNPUCSKIJGPFGGY-UHFFFAOYSA-N
MW332.29 g/mol
LogP4.78
Rot. Bonds7

About 3-(4-bromophenyl)-2-phenyl-N-propylpropan-1-amine

3-(4-bromophenyl)-2-phenyl-N-propylpropan-1-amine (PubChem CID 65429859) has the molecular formula C18H22BrN and a molecular weight of 332.29 g/mol. Its IUPAC name is 3-(4-bromophenyl)-2-phenyl-N-propylpropan-1-amine.

Molecular Properties

Compound Name3-(4-bromophenyl)-2-phenyl-N-propylpropan-1-amine
PubChem CID65429859
Molecular FormulaC18H22BrN
Molecular Weight332.29 g/mol
Exact Mass331.09
IUPAC Name3-(4-bromophenyl)-2-phenyl-N-propylpropan-1-amine
SMILESCCCNCC(Cc1ccc(Br)cc1)c1ccccc1
InChIInChI=1S/C18H22BrN/c1-2-12-20-14-17(16-6-4-3-5-7-16)13-15-8-10-18(19)11-9-15/h3-11,17,20H,2,12-14H2,1H3
InChIKeyNPUCSKIJGPFGGY-UHFFFAOYSA-N
XLogP4.78
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.29
LogP ≤ 54.78
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

2-(4-bromophenyl)-3-(4-iodophenyl)-N-propylpropan-1-amine
CID 79431636
3-(3,4-difluorophenyl)-2-phenyl-N-propylpropan-1-amine
CID 81028438
3-(4-bromophenyl)-2-methyl-N-propylpropan-1-amine
CID 62531086
3-(3-bromothiophen-2-yl)-2-phenyl-N-propylpropan-1-amine
CID 65431914
2-(4-bromophenyl)-4-methyl-N-propylpentan-1-amine
CID 79438678
3-(4-bromophenyl)-2-phenylpropan-1-amine
CID 65429656
3-methoxy-2-phenyl-N-propylpropan-1-amine
CID 103984694
2-(4-bromophenyl)-3-ethoxy-N-propylpropan-1-amine
CID 103984791
3-(3-methylthiophen-2-yl)-2-phenyl-N-propylpropan-1-amine
CID 81024674
2-(4-bromophenyl)-3-(4-fluorophenyl)-N-methylpropan-1-amine
CID 79442314
2-phenyl-N-propylnonan-1-amine
CID 65429485
2-benzyl-3-phenyl-N-propylpropan-1-amine
CID 62530255

Frequently Asked Questions

What is the IUPAC name of 3-(4-bromophenyl)-2-phenyl-N-propylpropan-1-amine?
The IUPAC name of 3-(4-bromophenyl)-2-phenyl-N-propylpropan-1-amine (CID 65429859) is 3-(4-bromophenyl)-2-phenyl-N-propylpropan-1-amine.
What is the SMILES notation for 3-(4-bromophenyl)-2-phenyl-N-propylpropan-1-amine?
The canonical SMILES for 3-(4-bromophenyl)-2-phenyl-N-propylpropan-1-amine is CCCNCC(Cc1ccc(Br)cc1)c1ccccc1.
What is the InChIKey of 3-(4-bromophenyl)-2-phenyl-N-propylpropan-1-amine?
The InChIKey is NPUCSKIJGPFGGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22BrN/c1-2-12-20-14-17(16-6-4-3-5-7-16)13-15-8-10-18(19)11-9-15/h3-11,17,20H,2,12-14H2,1H3.
What are the key properties of 3-(4-bromophenyl)-2-phenyl-N-propylpropan-1-amine?
3-(4-bromophenyl)-2-phenyl-N-propylpropan-1-amine has a molecular weight of 332.29 g/mol, XLogP of 4.78, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromophenyl)-2-phenyl-N-propylpropan-1-amine is sourced from PubChem (CID 65429859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).