4-chloro-1-N,1-N-dimethyl-2-N-[1-(3-methylthiophen-2-yl)ethyl]benzene-1,2-diamine

C15H19ClN2S — CID 63992277

IUPAC4-chloro-1-N,1-N-dimethyl-2-N-[1-(3-methylthiophen-2-yl)ethyl]benzene-1,2-diamine
SMILESCc1ccsc1C(C)Nc1cc(Cl)ccc1N(C)C
InChIInChI=1S/C15H19ClN2S/c1-10-7-8-19-15(10)11(2)17-13-9-12(16)5-6-14(13)18(3)4/h5-9,11,17H,1-4H3
InChIKeyNBQXSACEBPGDSD-UHFFFAOYSA-N
MW294.85 g/mol
LogP4.95
Rot. Bonds4

About 4-chloro-1-N,1-N-dimethyl-2-N-[1-(3-methylthiophen-2-yl)ethyl]benzene-1,2-diamine

4-chloro-1-N,1-N-dimethyl-2-N-[1-(3-methylthiophen-2-yl)ethyl]benzene-1,2-diamine (PubChem CID 63992277) has the molecular formula C15H19ClN2S and a molecular weight of 294.85 g/mol. Its IUPAC name is 4-chloro-1-N,1-N-dimethyl-2-N-[1-(3-methylthiophen-2-yl)ethyl]benzene-1,2-diamine.

Molecular Properties

Compound Name4-chloro-1-N,1-N-dimethyl-2-N-[1-(3-methylthiophen-2-yl)ethyl]benzene-1,2-diamine
PubChem CID63992277
Molecular FormulaC15H19ClN2S
Molecular Weight294.85 g/mol
Exact Mass294.10
IUPAC Name4-chloro-1-N,1-N-dimethyl-2-N-[1-(3-methylthiophen-2-yl)ethyl]benzene-1,2-diamine
SMILESCc1ccsc1C(C)Nc1cc(Cl)ccc1N(C)C
InChIInChI=1S/C15H19ClN2S/c1-10-7-8-19-15(10)11(2)17-13-9-12(16)5-6-14(13)18(3)4/h5-9,11,17H,1-4H3
InChIKeyNBQXSACEBPGDSD-UHFFFAOYSA-N
XLogP4.95
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.85
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-N-[1-(3-methylthiophen-2-yl)ethyl]-2-(trifluoromethyl)aniline
CID 63990811
4-chloro-2-N-[1-(2,5-dimethylphenyl)ethyl]-1-N,1-N-dimethylbenzene-1,2-diamine
CID 43741051
4-chloro-2-N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-1-N,1-N-dimethylbenzene-1,2-diamine
CID 43741030
2,3,4-trifluoro-N-[1-(3-methylthiophen-2-yl)ethyl]aniline
CID 63993191
3-chloro-4-fluoro-N-[1-(3-methylthiophen-2-yl)ethyl]aniline
CID 63992819
2-[1-[5-chloro-2-(dimethylamino)anilino]ethyl]phenol
CID 43741167
4-chloro-2-N-[1-(2,4-dibromophenyl)ethyl]-1-N,1-N-dimethylbenzene-1,2-diamine
CID 60782071
4-chloro-2-N-[1-(2-chloro-4-fluorophenyl)ethyl]-1-N,1-N-dimethylbenzene-1,2-diamine
CID 43790062
4-chloro-1-N,1-N-dimethyl-2-N-(1-pyridin-2-ylethyl)benzene-1,2-diamine
CID 43741094
5-fluoro-2-methyl-N-[1-(3-methylthiophen-2-yl)ethyl]aniline
CID 63993598
4-bromo-2,5-difluoro-N-[1-(3-methylthiophen-2-yl)ethyl]aniline
CID 107609537
2,6-dichloro-4-fluoro-N-[1-(3-methylthiophen-2-yl)ethyl]aniline
CID 83077042

Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-N,1-N-dimethyl-2-N-[1-(3-methylthiophen-2-yl)ethyl]benzene-1,2-diamine?
The IUPAC name of 4-chloro-1-N,1-N-dimethyl-2-N-[1-(3-methylthiophen-2-yl)ethyl]benzene-1,2-diamine (CID 63992277) is 4-chloro-1-N,1-N-dimethyl-2-N-[1-(3-methylthiophen-2-yl)ethyl]benzene-1,2-diamine.
What is the SMILES notation for 4-chloro-1-N,1-N-dimethyl-2-N-[1-(3-methylthiophen-2-yl)ethyl]benzene-1,2-diamine?
The canonical SMILES for 4-chloro-1-N,1-N-dimethyl-2-N-[1-(3-methylthiophen-2-yl)ethyl]benzene-1,2-diamine is Cc1ccsc1C(C)Nc1cc(Cl)ccc1N(C)C.
What is the InChIKey of 4-chloro-1-N,1-N-dimethyl-2-N-[1-(3-methylthiophen-2-yl)ethyl]benzene-1,2-diamine?
The InChIKey is NBQXSACEBPGDSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN2S/c1-10-7-8-19-15(10)11(2)17-13-9-12(16)5-6-14(13)18(3)4/h5-9,11,17H,1-4H3.
What are the key properties of 4-chloro-1-N,1-N-dimethyl-2-N-[1-(3-methylthiophen-2-yl)ethyl]benzene-1,2-diamine?
4-chloro-1-N,1-N-dimethyl-2-N-[1-(3-methylthiophen-2-yl)ethyl]benzene-1,2-diamine has a molecular weight of 294.85 g/mol, XLogP of 4.95, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-N,1-N-dimethyl-2-N-[1-(3-methylthiophen-2-yl)ethyl]benzene-1,2-diamine is sourced from PubChem (CID 63992277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).