1-(4-chlorothiophen-2-yl)-N-(4-methylphenyl)ethane-1,2-diamine

C13H15ClN2S — CID 79427844

IUPAC1-(4-chlorothiophen-2-yl)-N-(4-methylphenyl)ethane-1,2-diamine
SMILESCc1ccc(NC(CN)c2cc(Cl)cs2)cc1
InChIInChI=1S/C13H15ClN2S/c1-9-2-4-11(5-3-9)16-12(7-15)13-6-10(14)8-17-13/h2-6,8,12,16H,7,15H2,1H3
InChIKeyRWNWJEWDAYFOCP-UHFFFAOYSA-N
MW266.80 g/mol
LogP3.82
Rot. Bonds4

About 1-(4-chlorothiophen-2-yl)-N-(4-methylphenyl)ethane-1,2-diamine

1-(4-chlorothiophen-2-yl)-N-(4-methylphenyl)ethane-1,2-diamine (PubChem CID 79427844) has the molecular formula C13H15ClN2S and a molecular weight of 266.80 g/mol. Its IUPAC name is 1-(4-chlorothiophen-2-yl)-N-(4-methylphenyl)ethane-1,2-diamine.

Molecular Properties

Compound Name1-(4-chlorothiophen-2-yl)-N-(4-methylphenyl)ethane-1,2-diamine
PubChem CID79427844
Molecular FormulaC13H15ClN2S
Molecular Weight266.80 g/mol
Exact Mass266.06
IUPAC Name1-(4-chlorothiophen-2-yl)-N-(4-methylphenyl)ethane-1,2-diamine
SMILESCc1ccc(NC(CN)c2cc(Cl)cs2)cc1
InChIInChI=1S/C13H15ClN2S/c1-9-2-4-11(5-3-9)16-12(7-15)13-6-10(14)8-17-13/h2-6,8,12,16H,7,15H2,1H3
InChIKeyRWNWJEWDAYFOCP-UHFFFAOYSA-N
XLogP3.82
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.80
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-chlorothiophen-2-yl)-N-phenylethane-1,2-diamine
CID 79428184
1-(4-bromothiophen-2-yl)-N-(3-chloro-4-methylphenyl)ethane-1,2-diamine
CID 104721794
1-(4-chlorothiophen-2-yl)-N-[3-chloro-5-(trifluoromethyl)phenyl]ethane-1,2-diamine
CID 116699256
1-(4,5-dibromothiophen-2-yl)-N-(4-methylphenyl)ethane-1,2-diamine
CID 102839565
1-(4-chlorothiophen-2-yl)-N-prop-2-ynylethane-1,2-diamine
CID 79426626
1-(3-chloro-4-methylphenyl)-N-(4-methylphenyl)ethane-1,2-diamine
CID 106817471
(1R)-1-(4-chlorothiophen-2-yl)-N,N-dimethylethane-1,2-diamine
CID 124500651
1-(3,4-dimethylphenyl)-N-(4-methylphenyl)ethane-1,2-diamine
CID 65377760
N-(2-bromo-5-methylphenyl)-1-(4-bromothiophen-2-yl)ethane-1,2-diamine
CID 82757533
1-(2,5-difluorophenyl)-N-(4-methylphenyl)ethane-1,2-diamine
CID 65377552
1-(4-chlorothiophen-2-yl)-N-cyclopentylethane-1,2-diamine
CID 79426966
1-(4-chlorothiophen-2-yl)-N-[2-(2-methylprop-2-enoxy)ethyl]ethane-1,2-diamine
CID 114466541

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorothiophen-2-yl)-N-(4-methylphenyl)ethane-1,2-diamine?
The IUPAC name of 1-(4-chlorothiophen-2-yl)-N-(4-methylphenyl)ethane-1,2-diamine (CID 79427844) is 1-(4-chlorothiophen-2-yl)-N-(4-methylphenyl)ethane-1,2-diamine.
What is the SMILES notation for 1-(4-chlorothiophen-2-yl)-N-(4-methylphenyl)ethane-1,2-diamine?
The canonical SMILES for 1-(4-chlorothiophen-2-yl)-N-(4-methylphenyl)ethane-1,2-diamine is Cc1ccc(NC(CN)c2cc(Cl)cs2)cc1.
What is the InChIKey of 1-(4-chlorothiophen-2-yl)-N-(4-methylphenyl)ethane-1,2-diamine?
The InChIKey is RWNWJEWDAYFOCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN2S/c1-9-2-4-11(5-3-9)16-12(7-15)13-6-10(14)8-17-13/h2-6,8,12,16H,7,15H2,1H3.
What are the key properties of 1-(4-chlorothiophen-2-yl)-N-(4-methylphenyl)ethane-1,2-diamine?
1-(4-chlorothiophen-2-yl)-N-(4-methylphenyl)ethane-1,2-diamine has a molecular weight of 266.80 g/mol, XLogP of 3.82, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorothiophen-2-yl)-N-(4-methylphenyl)ethane-1,2-diamine is sourced from PubChem (CID 79427844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).