1-(4-bromophenyl)-1-N-butyl-1-N-ethylpropane-1,2-diamine

C15H25BrN2 — CID 55015637

IUPAC1-(4-bromophenyl)-1-N-butyl-1-N-ethylpropane-1,2-diamine
SMILESCCCCN(CC)C(c1ccc(Br)cc1)C(C)N
InChIInChI=1S/C15H25BrN2/c1-4-6-11-18(5-2)15(12(3)17)13-7-9-14(16)10-8-13/h7-10,12,15H,4-6,11,17H2,1-3H3
InChIKeyIMVLECWXZUWXTH-UHFFFAOYSA-N
MW313.28 g/mol
LogP3.96
Rot. Bonds7

About 1-(4-bromophenyl)-1-N-butyl-1-N-ethylpropane-1,2-diamine

1-(4-bromophenyl)-1-N-butyl-1-N-ethylpropane-1,2-diamine (PubChem CID 55015637) has the molecular formula C15H25BrN2 and a molecular weight of 313.28 g/mol. Its IUPAC name is 1-(4-bromophenyl)-1-N-butyl-1-N-ethylpropane-1,2-diamine.

Molecular Properties

Compound Name1-(4-bromophenyl)-1-N-butyl-1-N-ethylpropane-1,2-diamine
PubChem CID55015637
Molecular FormulaC15H25BrN2
Molecular Weight313.28 g/mol
Exact Mass312.12
IUPAC Name1-(4-bromophenyl)-1-N-butyl-1-N-ethylpropane-1,2-diamine
SMILESCCCCN(CC)C(c1ccc(Br)cc1)C(C)N
InChIInChI=1S/C15H25BrN2/c1-4-6-11-18(5-2)15(12(3)17)13-7-9-14(16)10-8-13/h7-10,12,15H,4-6,11,17H2,1-3H3
InChIKeyIMVLECWXZUWXTH-UHFFFAOYSA-N
XLogP3.96
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.28
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(4-bromophenyl)-1-N-butyl-1-N-ethylpropane-1,2-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-(4-bromophenyl)-1-N-ethyl-1-N-propylpropane-1,2-diamine
CID 55015975
1-(4-bromophenyl)-1-N-ethyl-1-N-propan-2-ylpropane-1,2-diamine
CID 55015880
2-[[2-amino-1-(4-chlorophenyl)propyl]-butylamino]ethanol
CID 55014902
1-(4-bromophenyl)-1-N-methyl-1-N-pentan-2-ylpropane-1,2-diamine
CID 55015882
1-(4-bromophenyl)-1-N-cyclopropyl-1-N-propylpropane-1,2-diamine
CID 55016024
1-(4-bromophenyl)-1-N-butyl-1-N-cyclopropylbutane-1,2-diamine
CID 63406377
1-phenyl-1-N,1-N-dipropylpropane-1,2-diamine
CID 55017641
3-[[2-amino-1-(4-bromophenyl)butyl]-ethylamino]propanenitrile
CID 55015549
N'-[2-amino-1-(4-bromophenyl)ethyl]-N'-ethyl-N,N-dimethylpropane-1,3-diamine
CID 102991504
2-N,2-N-dibutyl-1-(4-ethylphenyl)propane-1,2-diamine
CID 43309942
2-[[2-amino-1-(3-chlorophenyl)propyl]-butylamino]ethanol
CID 55019360
(1S)-1-(4-bromophenyl)hexan-1-amine
CID 28979678

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-1-N-butyl-1-N-ethylpropane-1,2-diamine?
The IUPAC name of 1-(4-bromophenyl)-1-N-butyl-1-N-ethylpropane-1,2-diamine (CID 55015637) is 1-(4-bromophenyl)-1-N-butyl-1-N-ethylpropane-1,2-diamine.
What is the SMILES notation for 1-(4-bromophenyl)-1-N-butyl-1-N-ethylpropane-1,2-diamine?
The canonical SMILES for 1-(4-bromophenyl)-1-N-butyl-1-N-ethylpropane-1,2-diamine is CCCCN(CC)C(c1ccc(Br)cc1)C(C)N.
What is the InChIKey of 1-(4-bromophenyl)-1-N-butyl-1-N-ethylpropane-1,2-diamine?
The InChIKey is IMVLECWXZUWXTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25BrN2/c1-4-6-11-18(5-2)15(12(3)17)13-7-9-14(16)10-8-13/h7-10,12,15H,4-6,11,17H2,1-3H3.
What are the key properties of 1-(4-bromophenyl)-1-N-butyl-1-N-ethylpropane-1,2-diamine?
1-(4-bromophenyl)-1-N-butyl-1-N-ethylpropane-1,2-diamine has a molecular weight of 313.28 g/mol, XLogP of 3.96, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-1-N-butyl-1-N-ethylpropane-1,2-diamine is sourced from PubChem (CID 55015637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).