4-N-[1-(5-chlorothiophen-2-yl)ethyl]-2-methylbenzene-1,4-diamine

C13H15ClN2S — CID 54954956

IUPAC4-N-[1-(5-chlorothiophen-2-yl)ethyl]-2-methylbenzene-1,4-diamine
SMILESCc1cc(NC(C)c2ccc(Cl)s2)ccc1N
InChIInChI=1S/C13H15ClN2S/c1-8-7-10(3-4-11(8)15)16-9(2)12-5-6-13(14)17-12/h3-7,9,16H,15H2,1-2H3
InChIKeyNRMMKYASXKDVQA-UHFFFAOYSA-N
MW266.80 g/mol
LogP4.47
Rot. Bonds3

About 4-N-[1-(5-chlorothiophen-2-yl)ethyl]-2-methylbenzene-1,4-diamine

4-N-[1-(5-chlorothiophen-2-yl)ethyl]-2-methylbenzene-1,4-diamine (PubChem CID 54954956) has the molecular formula C13H15ClN2S and a molecular weight of 266.80 g/mol. Its IUPAC name is 4-N-[1-(5-chlorothiophen-2-yl)ethyl]-2-methylbenzene-1,4-diamine.

Molecular Properties

Compound Name4-N-[1-(5-chlorothiophen-2-yl)ethyl]-2-methylbenzene-1,4-diamine
PubChem CID54954956
Molecular FormulaC13H15ClN2S
Molecular Weight266.80 g/mol
Exact Mass266.06
IUPAC Name4-N-[1-(5-chlorothiophen-2-yl)ethyl]-2-methylbenzene-1,4-diamine
SMILESCc1cc(NC(C)c2ccc(Cl)s2)ccc1N
InChIInChI=1S/C13H15ClN2S/c1-8-7-10(3-4-11(8)15)16-9(2)12-5-6-13(14)17-12/h3-7,9,16H,15H2,1-2H3
InChIKeyNRMMKYASXKDVQA-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

N-[4-[1-(5-chlorothiophen-2-yl)ethylamino]-2-methylphenyl]methanesulfonamide
CID 43741247
5-N-[1-(5-chlorothiophen-2-yl)ethyl]pyridine-2,5-diamine
CID 61468979
3,5-dichloro-N-[1-(5-chlorothiophen-2-yl)ethyl]aniline
CID 43438966
N-[1-(5-chlorothiophen-2-yl)ethyl]-4-propan-2-ylaniline
CID 43381993
4-methyl-1-N-[1-(5-methylthiophen-2-yl)ethyl]benzene-1,3-diamine
CID 62911996
N-[1-(5-chlorothiophen-2-yl)ethyl]-1,3-benzothiazol-6-amine
CID 107803759
4-bromo-N-[1-(5-bromothiophen-2-yl)ethyl]-3-methylaniline
CID 63419250
4-[1-(5-chlorothiophen-2-yl)ethylamino]benzenecarbothioamide
CID 54954931
N-[1-(5-chlorothiophen-2-yl)ethyl]-3,5-dimethoxyaniline
CID 43438960
N-[1-(5-chlorothiophen-2-yl)ethyl]-1H-indazol-6-amine
CID 43743466
4-[1-(5-chlorothiophen-2-yl)ethylamino]pyridine-2-carboxamide
CID 54954320
N-[1-(5-chlorothiophen-2-yl)ethyl]-4-(1,3-thiazol-2-yl)aniline
CID 60927533

Frequently Asked Questions

What is the IUPAC name of 4-N-[1-(5-chlorothiophen-2-yl)ethyl]-2-methylbenzene-1,4-diamine?
The IUPAC name of 4-N-[1-(5-chlorothiophen-2-yl)ethyl]-2-methylbenzene-1,4-diamine (CID 54954956) is 4-N-[1-(5-chlorothiophen-2-yl)ethyl]-2-methylbenzene-1,4-diamine.
What is the SMILES notation for 4-N-[1-(5-chlorothiophen-2-yl)ethyl]-2-methylbenzene-1,4-diamine?
The canonical SMILES for 4-N-[1-(5-chlorothiophen-2-yl)ethyl]-2-methylbenzene-1,4-diamine is Cc1cc(NC(C)c2ccc(Cl)s2)ccc1N.
What is the InChIKey of 4-N-[1-(5-chlorothiophen-2-yl)ethyl]-2-methylbenzene-1,4-diamine?
The InChIKey is NRMMKYASXKDVQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN2S/c1-8-7-10(3-4-11(8)15)16-9(2)12-5-6-13(14)17-12/h3-7,9,16H,15H2,1-2H3.
What are the key properties of 4-N-[1-(5-chlorothiophen-2-yl)ethyl]-2-methylbenzene-1,4-diamine?
4-N-[1-(5-chlorothiophen-2-yl)ethyl]-2-methylbenzene-1,4-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-N-[1-(5-chlorothiophen-2-yl)ethyl]-2-methylbenzene-1,4-diamine is sourced from PubChem (CID 54954956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).