1-[5-(3-chloro-4-methylphenyl)thiophen-2-yl]propan-1-amine

C14H16ClNS — CID 43154192

IUPAC1-[5-(3-chloro-4-methylphenyl)thiophen-2-yl]propan-1-amine
SMILESCCC(N)c1ccc(-c2ccc(C)c(Cl)c2)s1
InChIInChI=1S/C14H16ClNS/c1-3-12(16)14-7-6-13(17-14)10-5-4-9(2)11(15)8-10/h4-8,12H,3,16H2,1-2H3
InChIKeyWEOVTNQOSWAQLW-UHFFFAOYSA-N
MW265.81 g/mol
LogP4.79
Rot. Bonds3

About 1-[5-(3-chloro-4-methylphenyl)thiophen-2-yl]propan-1-amine

1-[5-(3-chloro-4-methylphenyl)thiophen-2-yl]propan-1-amine (PubChem CID 43154192) has the molecular formula C14H16ClNS and a molecular weight of 265.81 g/mol. Its IUPAC name is 1-[5-(3-chloro-4-methylphenyl)thiophen-2-yl]propan-1-amine.

Molecular Properties

Compound Name1-[5-(3-chloro-4-methylphenyl)thiophen-2-yl]propan-1-amine
PubChem CID43154192
Molecular FormulaC14H16ClNS
Molecular Weight265.81 g/mol
Exact Mass265.07
IUPAC Name1-[5-(3-chloro-4-methylphenyl)thiophen-2-yl]propan-1-amine
SMILESCCC(N)c1ccc(-c2ccc(C)c(Cl)c2)s1
InChIInChI=1S/C14H16ClNS/c1-3-12(16)14-7-6-13(17-14)10-5-4-9(2)11(15)8-10/h4-8,12H,3,16H2,1-2H3
InChIKeyWEOVTNQOSWAQLW-UHFFFAOYSA-N
XLogP4.79
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.81
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[5-(3,5-dichlorophenyl)thiophen-2-yl]propan-1-amine
CID 43363563
1-[5-(4-tert-butylphenyl)thiophen-2-yl]propan-1-amine
CID 43154259
1-[5-(2,5-dichlorophenyl)thiophen-2-yl]propan-1-amine
CID 43363440
1-[5-[2-methyl-5-(trifluoromethyl)phenyl]thiophen-2-yl]propan-1-amine
CID 66475853
1-[5-(2,6-dibromo-4-chlorophenyl)thiophen-2-yl]propan-1-amine
CID 114209207
1-[5-[3-(trifluoromethyl)phenyl]thiophen-2-yl]propan-1-amine
CID 43331844
1-(5-quinolin-6-ylthiophen-2-yl)propan-1-amine
CID 62634602
1-[5-[4-chloro-3-(trifluoromethyl)phenyl]thiophen-2-yl]butan-1-amine
CID 43154441
1-[5-(2-fluoro-4-methylphenyl)thiophen-2-yl]propan-1-amine
CID 43154452
(1R)-1-(5-chlorothiophen-2-yl)propan-1-amine;hydrochloride
CID 171200569
(3-chloro-4-methylphenyl)-(5-ethylthiophen-2-yl)methanamine
CID 55162371
1-(5-chlorothiophen-2-yl)propan-1-amine;oxalic acid
CID 19830112

Frequently Asked Questions

What is the IUPAC name of 1-[5-(3-chloro-4-methylphenyl)thiophen-2-yl]propan-1-amine?
The IUPAC name of 1-[5-(3-chloro-4-methylphenyl)thiophen-2-yl]propan-1-amine (CID 43154192) is 1-[5-(3-chloro-4-methylphenyl)thiophen-2-yl]propan-1-amine.
What is the SMILES notation for 1-[5-(3-chloro-4-methylphenyl)thiophen-2-yl]propan-1-amine?
The canonical SMILES for 1-[5-(3-chloro-4-methylphenyl)thiophen-2-yl]propan-1-amine is CCC(N)c1ccc(-c2ccc(C)c(Cl)c2)s1.
What is the InChIKey of 1-[5-(3-chloro-4-methylphenyl)thiophen-2-yl]propan-1-amine?
The InChIKey is WEOVTNQOSWAQLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClNS/c1-3-12(16)14-7-6-13(17-14)10-5-4-9(2)11(15)8-10/h4-8,12H,3,16H2,1-2H3.
What are the key properties of 1-[5-(3-chloro-4-methylphenyl)thiophen-2-yl]propan-1-amine?
1-[5-(3-chloro-4-methylphenyl)thiophen-2-yl]propan-1-amine has a molecular weight of 265.81 g/mol, XLogP of 4.79, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(3-chloro-4-methylphenyl)thiophen-2-yl]propan-1-amine is sourced from PubChem (CID 43154192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).