1-(4-bromophenyl)-N'-ethyl-N'-phenylpropane-1,3-diamine

C17H21BrN2 — CID 62618887

IUPAC1-(4-bromophenyl)-N'-ethyl-N'-phenylpropane-1,3-diamine
SMILESCCN(CCC(N)c1ccc(Br)cc1)c1ccccc1
InChIInChI=1S/C17H21BrN2/c1-2-20(16-6-4-3-5-7-16)13-12-17(19)14-8-10-15(18)11-9-14/h3-11,17H,2,12-13,19H2,1H3
InChIKeyRWGPOTYKXSYADP-UHFFFAOYSA-N
MW333.27 g/mol
LogP4.37
Rot. Bonds6

About 1-(4-bromophenyl)-N'-ethyl-N'-phenylpropane-1,3-diamine

1-(4-bromophenyl)-N'-ethyl-N'-phenylpropane-1,3-diamine (PubChem CID 62618887) has the molecular formula C17H21BrN2 and a molecular weight of 333.27 g/mol. Its IUPAC name is 1-(4-bromophenyl)-N'-ethyl-N'-phenylpropane-1,3-diamine.

Molecular Properties

Compound Name1-(4-bromophenyl)-N'-ethyl-N'-phenylpropane-1,3-diamine
PubChem CID62618887
Molecular FormulaC17H21BrN2
Molecular Weight333.27 g/mol
Exact Mass332.09
IUPAC Name1-(4-bromophenyl)-N'-ethyl-N'-phenylpropane-1,3-diamine
SMILESCCN(CCC(N)c1ccc(Br)cc1)c1ccccc1
InChIInChI=1S/C17H21BrN2/c1-2-20(16-6-4-3-5-7-16)13-12-17(19)14-8-10-15(18)11-9-14/h3-11,17H,2,12-13,19H2,1H3
InChIKeyRWGPOTYKXSYADP-UHFFFAOYSA-N
XLogP4.37
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.27
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(4-bromophenyl)-N'-ethyl-N'-phenylpropane-1,3-diamine 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-(3-bromophenyl)-N'-ethyl-N'-(3-methylphenyl)propane-1,3-diamine
CID 63493466
1-(4-bromophenyl)-N'-methyl-N'-propylpropane-1,3-diamine
CID 62619765
N'-ethyl-N'-(2-methylphenyl)-1-phenylpropane-1,3-diamine
CID 43098055
2-[[3-amino-3-(4-bromophenyl)propyl]-ethylamino]ethanol
CID 62619789
1-(4-chlorophenyl)-N'-ethyl-N'-(3-fluorophenyl)propane-1,3-diamine
CID 63493106
2-amino-4-(N-ethylanilino)butanoic acid
CID 63027828
1-(2-bromophenyl)-N'-ethyl-N'-(4-methylphenyl)propane-1,3-diamine
CID 63494059
N-[2-(4-bromophenoxy)ethyl]-N-ethylaniline
CID 55026790
N'-ethyl-N'-(2-methylphenyl)-1-(4-methylphenyl)propane-1,3-diamine
CID 63484319
1-(4-bromophenyl)-3-(N-ethyl-4-methylanilino)propan-1-ol
CID 63488227
N-[(4-bromophenyl)methyl]-N-ethylaniline
CID 60683468
(1R)-1-[4-(diethylamino)phenyl]propane-1,3-diamine;hydrochloride
CID 171207945

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-N'-ethyl-N'-phenylpropane-1,3-diamine?
The IUPAC name of 1-(4-bromophenyl)-N'-ethyl-N'-phenylpropane-1,3-diamine (CID 62618887) is 1-(4-bromophenyl)-N'-ethyl-N'-phenylpropane-1,3-diamine.
What is the SMILES notation for 1-(4-bromophenyl)-N'-ethyl-N'-phenylpropane-1,3-diamine?
The canonical SMILES for 1-(4-bromophenyl)-N'-ethyl-N'-phenylpropane-1,3-diamine is CCN(CCC(N)c1ccc(Br)cc1)c1ccccc1.
What is the InChIKey of 1-(4-bromophenyl)-N'-ethyl-N'-phenylpropane-1,3-diamine?
The InChIKey is RWGPOTYKXSYADP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21BrN2/c1-2-20(16-6-4-3-5-7-16)13-12-17(19)14-8-10-15(18)11-9-14/h3-11,17H,2,12-13,19H2,1H3.
What are the key properties of 1-(4-bromophenyl)-N'-ethyl-N'-phenylpropane-1,3-diamine?
1-(4-bromophenyl)-N'-ethyl-N'-phenylpropane-1,3-diamine has a molecular weight of 333.27 g/mol, XLogP of 4.37, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-N'-ethyl-N'-phenylpropane-1,3-diamine is sourced from PubChem (CID 62618887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).