2-N-[2-(5-bromothiophen-2-yl)ethyl]-2-N,4-dimethylbenzene-1,2-diamine

C14H17BrN2S — CID 115126441

IUPAC2-N-[2-(5-bromothiophen-2-yl)ethyl]-2-N,4-dimethylbenzene-1,2-diamine
SMILESCc1ccc(N)c(N(C)CCc2ccc(Br)s2)c1
InChIInChI=1S/C14H17BrN2S/c1-10-3-5-12(16)13(9-10)17(2)8-7-11-4-6-14(15)18-11/h3-6,9H,7-8,16H2,1-2H3
InChIKeyJVKLYPQMACGRHQ-UHFFFAOYSA-N
MW325.28 g/mol
LogP4.08
Rot. Bonds4

About 2-N-[2-(5-bromothiophen-2-yl)ethyl]-2-N,4-dimethylbenzene-1,2-diamine

2-N-[2-(5-bromothiophen-2-yl)ethyl]-2-N,4-dimethylbenzene-1,2-diamine (PubChem CID 115126441) has the molecular formula C14H17BrN2S and a molecular weight of 325.28 g/mol. Its IUPAC name is 2-N-[2-(5-bromothiophen-2-yl)ethyl]-2-N,4-dimethylbenzene-1,2-diamine.

Molecular Properties

Compound Name2-N-[2-(5-bromothiophen-2-yl)ethyl]-2-N,4-dimethylbenzene-1,2-diamine
PubChem CID115126441
Molecular FormulaC14H17BrN2S
Molecular Weight325.28 g/mol
Exact Mass324.03
IUPAC Name2-N-[2-(5-bromothiophen-2-yl)ethyl]-2-N,4-dimethylbenzene-1,2-diamine
SMILESCc1ccc(N)c(N(C)CCc2ccc(Br)s2)c1
InChIInChI=1S/C14H17BrN2S/c1-10-3-5-12(16)13(9-10)17(2)8-7-11-4-6-14(15)18-11/h3-6,9H,7-8,16H2,1-2H3
InChIKeyJVKLYPQMACGRHQ-UHFFFAOYSA-N
XLogP4.08
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.28
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 2-N-[2-(5-bromothiophen-2-yl)ethyl]-2-N,4-dimethylbenzene-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

2-N,4-dimethyl-2-N-[2-(4-methylphenyl)ethyl]benzene-1,2-diamine
CID 115126434
3-amino-4-[2-(5-bromothiophen-2-yl)ethyl-methylamino]benzonitrile
CID 115127506
2-N-[(5-bromothiophen-2-yl)methyl]-4-chloro-2-N-methylbenzene-1,2-diamine
CID 107466105
4-amino-3-[(5-bromothiophen-2-yl)methyl-methylamino]benzonitrile
CID 115127299
4-bromo-2-N-methyl-2-N-(2-thiophen-2-ylethyl)benzene-1,2-diamine
CID 79475851
2-N,4-dimethyl-2-N-(2-pyridin-3-ylethyl)benzene-1,2-diamine
CID 115126452
2-[amino(methyl)amino]-4-methylaniline
CID 130196475
2-bromo-1-N-[2-(5-bromothiophen-2-yl)ethyl]-5-methylbenzene-1,4-diamine
CID 106037606
1-N-[2-(2-bromophenyl)ethyl]-1-N,4-dimethylbenzene-1,2-diamine
CID 115125164
4-N-[(5-bromothiophen-2-yl)methyl]-2-fluoro-4-N-methylbenzene-1,4-diamine
CID 115123916
1-N-[2-(5-bromo-2-methylphenyl)ethyl]-1-N,4-dimethylbenzene-1,2-diamine
CID 115125153
4-fluoro-2-N-methyl-2-N-[2-(3-methylphenyl)ethyl]benzene-1,2-diamine
CID 115124219

Frequently Asked Questions

What is the IUPAC name of 2-N-[2-(5-bromothiophen-2-yl)ethyl]-2-N,4-dimethylbenzene-1,2-diamine?
The IUPAC name of 2-N-[2-(5-bromothiophen-2-yl)ethyl]-2-N,4-dimethylbenzene-1,2-diamine (CID 115126441) is 2-N-[2-(5-bromothiophen-2-yl)ethyl]-2-N,4-dimethylbenzene-1,2-diamine.
What is the SMILES notation for 2-N-[2-(5-bromothiophen-2-yl)ethyl]-2-N,4-dimethylbenzene-1,2-diamine?
The canonical SMILES for 2-N-[2-(5-bromothiophen-2-yl)ethyl]-2-N,4-dimethylbenzene-1,2-diamine is Cc1ccc(N)c(N(C)CCc2ccc(Br)s2)c1.
What is the InChIKey of 2-N-[2-(5-bromothiophen-2-yl)ethyl]-2-N,4-dimethylbenzene-1,2-diamine?
The InChIKey is JVKLYPQMACGRHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrN2S/c1-10-3-5-12(16)13(9-10)17(2)8-7-11-4-6-14(15)18-11/h3-6,9H,7-8,16H2,1-2H3.
What are the key properties of 2-N-[2-(5-bromothiophen-2-yl)ethyl]-2-N,4-dimethylbenzene-1,2-diamine?
2-N-[2-(5-bromothiophen-2-yl)ethyl]-2-N,4-dimethylbenzene-1,2-diamine has a molecular weight of 325.28 g/mol, XLogP of 4.08, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[2-(5-bromothiophen-2-yl)ethyl]-2-N,4-dimethylbenzene-1,2-diamine is sourced from PubChem (CID 115126441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).