4-chloro-2-N-[1-(5-methylthiophen-2-yl)ethyl]benzene-1,2-diamine

C13H15ClN2S — CID 115468753

IUPAC4-chloro-2-N-[1-(5-methylthiophen-2-yl)ethyl]benzene-1,2-diamine
SMILESCc1ccc(C(C)Nc2cc(Cl)ccc2N)s1
InChIInChI=1S/C13H15ClN2S/c1-8-3-6-13(17-8)9(2)16-12-7-10(14)4-5-11(12)15/h3-7,9,16H,15H2,1-2H3
InChIKeyJNCORHUUWZAMSX-UHFFFAOYSA-N
MW266.80 g/mol
LogP4.47
Rot. Bonds3

About 4-chloro-2-N-[1-(5-methylthiophen-2-yl)ethyl]benzene-1,2-diamine

4-chloro-2-N-[1-(5-methylthiophen-2-yl)ethyl]benzene-1,2-diamine (PubChem CID 115468753) has the molecular formula C13H15ClN2S and a molecular weight of 266.80 g/mol. Its IUPAC name is 4-chloro-2-N-[1-(5-methylthiophen-2-yl)ethyl]benzene-1,2-diamine.

Molecular Properties

Compound Name4-chloro-2-N-[1-(5-methylthiophen-2-yl)ethyl]benzene-1,2-diamine
PubChem CID115468753
Molecular FormulaC13H15ClN2S
Molecular Weight266.80 g/mol
Exact Mass266.06
IUPAC Name4-chloro-2-N-[1-(5-methylthiophen-2-yl)ethyl]benzene-1,2-diamine
SMILESCc1ccc(C(C)Nc2cc(Cl)ccc2N)s1
InChIInChI=1S/C13H15ClN2S/c1-8-3-6-13(17-8)9(2)16-12-7-10(14)4-5-11(12)15/h3-7,9,16H,15H2,1-2H3
InChIKeyJNCORHUUWZAMSX-UHFFFAOYSA-N
XLogP4.47
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.80
LogP ≤ 54.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-amino-3-[1-(5-methylthiophen-2-yl)ethylamino]benzenesulfonamide
CID 82907089
4-bromo-5-fluoro-2-N-[1-(5-methylthiophen-2-yl)ethyl]benzene-1,2-diamine
CID 116735659
4-fluoro-5-iodo-2-N-[1-(5-methylthiophen-2-yl)ethyl]benzene-1,2-diamine
CID 66101858
3-methyl-5-N-[1-(5-methylthiophen-2-yl)ethyl]isoquinoline-5,8-diamine
CID 102713195
4-methyl-1-N-[1-(5-methylthiophen-2-yl)ethyl]benzene-1,3-diamine
CID 62911996
N-[(2,5-dichlorophenyl)methyl]-1-(5-methylthiophen-2-yl)ethanamine
CID 65316176
6-methyl-2-N-[1-(5-methylthiophen-2-yl)ethyl]pyridine-2,3-diamine
CID 81132314
2-bromo-5-chloro-N-[1-(5-chlorothiophen-2-yl)ethyl]aniline
CID 81264190
2,3,5-trifluoro-N-[1-(5-methylthiophen-2-yl)ethyl]aniline
CID 55119065
3,5-dichloro-6-N-[1-(5-methylthiophen-2-yl)ethyl]pyridine-2,6-diamine
CID 102756938
4-bromo-2,5-difluoro-N-[1-(5-methylthiophen-2-yl)ethyl]aniline
CID 107609300
4-chloro-2-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]benzene-1,2-diamine
CID 114182279

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-N-[1-(5-methylthiophen-2-yl)ethyl]benzene-1,2-diamine?
The IUPAC name of 4-chloro-2-N-[1-(5-methylthiophen-2-yl)ethyl]benzene-1,2-diamine (CID 115468753) is 4-chloro-2-N-[1-(5-methylthiophen-2-yl)ethyl]benzene-1,2-diamine.
What is the SMILES notation for 4-chloro-2-N-[1-(5-methylthiophen-2-yl)ethyl]benzene-1,2-diamine?
The canonical SMILES for 4-chloro-2-N-[1-(5-methylthiophen-2-yl)ethyl]benzene-1,2-diamine is Cc1ccc(C(C)Nc2cc(Cl)ccc2N)s1.
What is the InChIKey of 4-chloro-2-N-[1-(5-methylthiophen-2-yl)ethyl]benzene-1,2-diamine?
The InChIKey is JNCORHUUWZAMSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN2S/c1-8-3-6-13(17-8)9(2)16-12-7-10(14)4-5-11(12)15/h3-7,9,16H,15H2,1-2H3.
What are the key properties of 4-chloro-2-N-[1-(5-methylthiophen-2-yl)ethyl]benzene-1,2-diamine?
4-chloro-2-N-[1-(5-methylthiophen-2-yl)ethyl]benzene-1,2-diamine has a molecular weight of 266.80 g/mol, XLogP of 4.47, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-N-[1-(5-methylthiophen-2-yl)ethyl]benzene-1,2-diamine is sourced from PubChem (CID 115468753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).