N-(3-bromo-5-methylphenyl)-1-(5-methylthiophen-2-yl)ethane-1,2-diamine

C14H17BrN2S — CID 107582817

IUPACN-(3-bromo-5-methylphenyl)-1-(5-methylthiophen-2-yl)ethane-1,2-diamine
SMILESCc1cc(Br)cc(NC(CN)c2ccc(C)s2)c1
InChIInChI=1S/C14H17BrN2S/c1-9-5-11(15)7-12(6-9)17-13(8-16)14-4-3-10(2)18-14/h3-7,13,17H,8,16H2,1-2H3
InChIKeyIUBJSVJDEQPQLW-UHFFFAOYSA-N
MW325.28 g/mol
LogP4.24
Rot. Bonds4

About N-(3-bromo-5-methylphenyl)-1-(5-methylthiophen-2-yl)ethane-1,2-diamine

N-(3-bromo-5-methylphenyl)-1-(5-methylthiophen-2-yl)ethane-1,2-diamine (PubChem CID 107582817) has the molecular formula C14H17BrN2S and a molecular weight of 325.28 g/mol. Its IUPAC name is N-(3-bromo-5-methylphenyl)-1-(5-methylthiophen-2-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN-(3-bromo-5-methylphenyl)-1-(5-methylthiophen-2-yl)ethane-1,2-diamine
PubChem CID107582817
Molecular FormulaC14H17BrN2S
Molecular Weight325.28 g/mol
Exact Mass324.03
IUPAC NameN-(3-bromo-5-methylphenyl)-1-(5-methylthiophen-2-yl)ethane-1,2-diamine
SMILESCc1cc(Br)cc(NC(CN)c2ccc(C)s2)c1
InChIInChI=1S/C14H17BrN2S/c1-9-5-11(15)7-12(6-9)17-13(8-16)14-4-3-10(2)18-14/h3-7,13,17H,8,16H2,1-2H3
InChIKeyIUBJSVJDEQPQLW-UHFFFAOYSA-N
XLogP4.24
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.28
LogP ≤ 54.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-(3-bromo-5-methylphenyl)-1-(5-methylthiophen-2-yl)ethane-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

N-(3-bromo-5-methylphenyl)-1-thiophen-2-ylethane-1,2-diamine
CID 107582876
N-(3-bromo-5-methylphenyl)-1-(4-methylphenyl)ethane-1,2-diamine
CID 107582847
N-(3-bromo-5-methylphenyl)-1-(4-bromophenyl)ethane-1,2-diamine
CID 107582913
2-(4-bromoanilino)-2-(5-methylthiophen-2-yl)ethanol
CID 61347760
N-(3-bromo-5-methylphenyl)-1-(5-bromo-3-pyridinyl)ethane-1,2-diamine
CID 107582683
N-(3,5-dimethylphenyl)-1-(4-methylphenyl)ethane-1,2-diamine
CID 82131994
(3-bromo-5-methylphenyl)-(5-methylthiophen-2-yl)methanamine
CID 104851096
1-(1-benzofuran-2-yl)-N-(3-bromo-5-methylphenyl)ethane-1,2-diamine
CID 107582891
1-(4,5-dibromothiophen-2-yl)-N-(4-methylphenyl)ethane-1,2-diamine
CID 102839565
3-bromo-5-methoxy-N-[1-(5-methylthiophen-2-yl)ethyl]aniline
CID 82858085
3-bromo-N-[1-(4-chlorophenyl)propyl]-5-methylaniline
CID 107582181
N-[(3-bromo-5-methylphenyl)-(5-methylthiophen-2-yl)methyl]propan-1-amine
CID 104851227

Frequently Asked Questions

What is the IUPAC name of N-(3-bromo-5-methylphenyl)-1-(5-methylthiophen-2-yl)ethane-1,2-diamine?
The IUPAC name of N-(3-bromo-5-methylphenyl)-1-(5-methylthiophen-2-yl)ethane-1,2-diamine (CID 107582817) is N-(3-bromo-5-methylphenyl)-1-(5-methylthiophen-2-yl)ethane-1,2-diamine.
What is the SMILES notation for N-(3-bromo-5-methylphenyl)-1-(5-methylthiophen-2-yl)ethane-1,2-diamine?
The canonical SMILES for N-(3-bromo-5-methylphenyl)-1-(5-methylthiophen-2-yl)ethane-1,2-diamine is Cc1cc(Br)cc(NC(CN)c2ccc(C)s2)c1.
What is the InChIKey of N-(3-bromo-5-methylphenyl)-1-(5-methylthiophen-2-yl)ethane-1,2-diamine?
The InChIKey is IUBJSVJDEQPQLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrN2S/c1-9-5-11(15)7-12(6-9)17-13(8-16)14-4-3-10(2)18-14/h3-7,13,17H,8,16H2,1-2H3.
What are the key properties of N-(3-bromo-5-methylphenyl)-1-(5-methylthiophen-2-yl)ethane-1,2-diamine?
N-(3-bromo-5-methylphenyl)-1-(5-methylthiophen-2-yl)ethane-1,2-diamine has a molecular weight of 325.28 g/mol, XLogP of 4.24, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromo-5-methylphenyl)-1-(5-methylthiophen-2-yl)ethane-1,2-diamine is sourced from PubChem (CID 107582817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).