1-[4-(4-bromophenyl)phenyl]-N-propylpropan-1-amine

C18H22BrN — CID 63888912

IUPAC1-[4-(4-bromophenyl)phenyl]-N-propylpropan-1-amine
SMILESCCCNC(CC)c1ccc(-c2ccc(Br)cc2)cc1
InChIInChI=1S/C18H22BrN/c1-3-13-20-18(4-2)16-7-5-14(6-8-16)15-9-11-17(19)12-10-15/h5-12,18,20H,3-4,13H2,1-2H3
InChIKeyXIACCSKVVSOKHM-UHFFFAOYSA-N
MW332.29 g/mol
LogP5.57
Rot. Bonds6

About 1-[4-(4-bromophenyl)phenyl]-N-propylpropan-1-amine

1-[4-(4-bromophenyl)phenyl]-N-propylpropan-1-amine (PubChem CID 63888912) has the molecular formula C18H22BrN and a molecular weight of 332.29 g/mol. Its IUPAC name is 1-[4-(4-bromophenyl)phenyl]-N-propylpropan-1-amine.

Molecular Properties

Compound Name1-[4-(4-bromophenyl)phenyl]-N-propylpropan-1-amine
PubChem CID63888912
Molecular FormulaC18H22BrN
Molecular Weight332.29 g/mol
Exact Mass331.09
IUPAC Name1-[4-(4-bromophenyl)phenyl]-N-propylpropan-1-amine
SMILESCCCNC(CC)c1ccc(-c2ccc(Br)cc2)cc1
InChIInChI=1S/C18H22BrN/c1-3-13-20-18(4-2)16-7-5-14(6-8-16)15-9-11-17(19)12-10-15/h5-12,18,20H,3-4,13H2,1-2H3
InChIKeyXIACCSKVVSOKHM-UHFFFAOYSA-N
XLogP5.57
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.29
LogP ≤ 55.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 1-[4-(4-bromophenyl)phenyl]-N-propylpropan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(4-bromophenyl)-3-methyl-N-propylpentan-1-amine
CID 55186607
1-[4-(3,5-dichlorophenyl)phenyl]-N-propylpropan-1-amine
CID 114879199
1-(4-fluorophenyl)-N-propylpropan-1-amine
CID 43185194
1-(4-bromophenyl)-N-(3-propoxypropyl)propan-1-amine
CID 82941084
5-[1-(4-bromophenyl)propylamino]pentan-2-ol
CID 107270293
1-[4-(2,5-dimethylphenyl)phenyl]-N-propylpropan-1-amine
CID 63424403
N-[2-(2-bromophenyl)-1-(4-bromophenyl)ethyl]propan-1-amine
CID 60817936
1-[1-(4-bromophenyl)propylamino]butan-2-ol
CID 115899581
1-(4-bromophenyl)-N-butylbut-3-en-1-amine
CID 177091582
1-(4-bromophenyl)-N-[2-(3-methylbutoxy)ethyl]propan-1-amine
CID 63477064
N-[1-(4-bromophenyl)-2-(furan-2-yl)ethyl]propan-1-amine
CID 83176193
N-[3-[1-(4-bromophenyl)propylamino]propyl]methanesulfonamide
CID 103776673

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-bromophenyl)phenyl]-N-propylpropan-1-amine?
The IUPAC name of 1-[4-(4-bromophenyl)phenyl]-N-propylpropan-1-amine (CID 63888912) is 1-[4-(4-bromophenyl)phenyl]-N-propylpropan-1-amine.
What is the SMILES notation for 1-[4-(4-bromophenyl)phenyl]-N-propylpropan-1-amine?
The canonical SMILES for 1-[4-(4-bromophenyl)phenyl]-N-propylpropan-1-amine is CCCNC(CC)c1ccc(-c2ccc(Br)cc2)cc1.
What is the InChIKey of 1-[4-(4-bromophenyl)phenyl]-N-propylpropan-1-amine?
The InChIKey is XIACCSKVVSOKHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22BrN/c1-3-13-20-18(4-2)16-7-5-14(6-8-16)15-9-11-17(19)12-10-15/h5-12,18,20H,3-4,13H2,1-2H3.
What are the key properties of 1-[4-(4-bromophenyl)phenyl]-N-propylpropan-1-amine?
1-[4-(4-bromophenyl)phenyl]-N-propylpropan-1-amine has a molecular weight of 332.29 g/mol, XLogP of 5.57, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-bromophenyl)phenyl]-N-propylpropan-1-amine is sourced from PubChem (CID 63888912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).