N-(4-bromo-3-methylphenyl)-N',N'-diethylethane-1,2-diamine

C13H21BrN2 — CID 28574811

IUPACN-(4-bromo-3-methylphenyl)-N',N'-diethylethane-1,2-diamine
SMILESCCN(CC)CCNc1ccc(Br)c(C)c1
InChIInChI=1S/C13H21BrN2/c1-4-16(5-2)9-8-15-12-6-7-13(14)11(3)10-12/h6-7,10,15H,4-5,8-9H2,1-3H3
InChIKeyJMPHQJNWFCTTKS-UHFFFAOYSA-N
MW285.23 g/mol
LogP3.51
Rot. Bonds6

About N-(4-bromo-3-methylphenyl)-N',N'-diethylethane-1,2-diamine

N-(4-bromo-3-methylphenyl)-N',N'-diethylethane-1,2-diamine (PubChem CID 28574811) has the molecular formula C13H21BrN2 and a molecular weight of 285.23 g/mol. Its IUPAC name is N-(4-bromo-3-methylphenyl)-N',N'-diethylethane-1,2-diamine.

Molecular Properties

Compound NameN-(4-bromo-3-methylphenyl)-N',N'-diethylethane-1,2-diamine
PubChem CID28574811
Molecular FormulaC13H21BrN2
Molecular Weight285.23 g/mol
Exact Mass284.09
IUPAC NameN-(4-bromo-3-methylphenyl)-N',N'-diethylethane-1,2-diamine
SMILESCCN(CC)CCNc1ccc(Br)c(C)c1
InChIInChI=1S/C13H21BrN2/c1-4-16(5-2)9-8-15-12-6-7-13(14)11(3)10-12/h6-7,10,15H,4-5,8-9H2,1-3H3
InChIKeyJMPHQJNWFCTTKS-UHFFFAOYSA-N
XLogP3.51
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.23
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-(4-bromo-3-methylphenyl)-N',N'-diethylethane-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

4-bromo-N-ethyl-3-methylaniline;hydrochloride
CID 75530858
4-bromo-N-hexyl-3-methylaniline
CID 28877172
1-(4-bromo-3-methylanilino)-3-(diethylamino)propan-2-ol
CID 60897509
4-bromo-N-(2-ethoxyethyl)-3-methylaniline
CID 43387860
4-bromo-3-methyl-N-(2,2,2-trifluoroethyl)aniline
CID 28574797
4-bromo-3-methyl-N-(4-methylpentyl)aniline
CID 83155859
N'-ethyl-N-(3-methylphenyl)-N'-propylethane-1,2-diamine
CID 62575820
N',N'-diethyl-N-(2,4,6-tribromophenyl)ethane-1,2-diamine
CID 28992090
N-(3-bromo-4-methyl-2-pyridinyl)-N',N'-diethylethane-1,2-diamine
CID 106875424
4-bromo-N-[(3-fluoro-4-methylphenyl)methyl]-3-methylaniline
CID 63645668
4-[3-(diethylamino)propylamino]-2-methylbenzoic acid
CID 81281767
N-[4-(aminomethyl)phenyl]-N',N'-diethylethane-1,2-diamine
CID 22693574

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-3-methylphenyl)-N',N'-diethylethane-1,2-diamine?
The IUPAC name of N-(4-bromo-3-methylphenyl)-N',N'-diethylethane-1,2-diamine (CID 28574811) is N-(4-bromo-3-methylphenyl)-N',N'-diethylethane-1,2-diamine.
What is the SMILES notation for N-(4-bromo-3-methylphenyl)-N',N'-diethylethane-1,2-diamine?
The canonical SMILES for N-(4-bromo-3-methylphenyl)-N',N'-diethylethane-1,2-diamine is CCN(CC)CCNc1ccc(Br)c(C)c1.
What is the InChIKey of N-(4-bromo-3-methylphenyl)-N',N'-diethylethane-1,2-diamine?
The InChIKey is JMPHQJNWFCTTKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21BrN2/c1-4-16(5-2)9-8-15-12-6-7-13(14)11(3)10-12/h6-7,10,15H,4-5,8-9H2,1-3H3.
What are the key properties of N-(4-bromo-3-methylphenyl)-N',N'-diethylethane-1,2-diamine?
N-(4-bromo-3-methylphenyl)-N',N'-diethylethane-1,2-diamine has a molecular weight of 285.23 g/mol, XLogP of 3.51, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-3-methylphenyl)-N',N'-diethylethane-1,2-diamine is sourced from PubChem (CID 28574811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).