1-(5-chloro-4-methylthiophen-2-yl)-2-cyclopropylpropan-1-amine

C11H16ClNS — CID 102763474

IUPAC1-(5-chloro-4-methylthiophen-2-yl)-2-cyclopropylpropan-1-amine
SMILESCc1cc(C(N)C(C)C2CC2)sc1Cl
InChIInChI=1S/C11H16ClNS/c1-6-5-9(14-11(6)12)10(13)7(2)8-3-4-8/h5,7-8,10H,3-4,13H2,1-2H3
InChIKeyZAWJFSOPTVNXCC-UHFFFAOYSA-N
MW229.78 g/mol
LogP3.76
Rot. Bonds3

About 1-(5-chloro-4-methylthiophen-2-yl)-2-cyclopropylpropan-1-amine

1-(5-chloro-4-methylthiophen-2-yl)-2-cyclopropylpropan-1-amine (PubChem CID 102763474) has the molecular formula C11H16ClNS and a molecular weight of 229.78 g/mol. Its IUPAC name is 1-(5-chloro-4-methylthiophen-2-yl)-2-cyclopropylpropan-1-amine.

Molecular Properties

Compound Name1-(5-chloro-4-methylthiophen-2-yl)-2-cyclopropylpropan-1-amine
PubChem CID102763474
Molecular FormulaC11H16ClNS
Molecular Weight229.78 g/mol
Exact Mass229.07
IUPAC Name1-(5-chloro-4-methylthiophen-2-yl)-2-cyclopropylpropan-1-amine
SMILESCc1cc(C(N)C(C)C2CC2)sc1Cl
InChIInChI=1S/C11H16ClNS/c1-6-5-9(14-11(6)12)10(13)7(2)8-3-4-8/h5,7-8,10H,3-4,13H2,1-2H3
InChIKeyZAWJFSOPTVNXCC-UHFFFAOYSA-N
XLogP3.76
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.78
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-[bromo(cycloheptyl)methyl]-2-chloro-3-methylthiophene
CID 102765001
1-(5-chloro-4-methylthiophen-2-yl)-2-propylpentan-1-amine
CID 102763473
1-(2-chloro-4,5-dimethylphenyl)-2-cyclopropylpropan-1-amine
CID 83154402
N-[(5-chloro-4-methylthiophen-2-yl)-cyclopropylmethyl]ethanamine
CID 102763969
1-(3-chloro-4-methylphenyl)-2-cyclopropylpropan-1-amine
CID 107561849
(1S)-1-(5-chloro-4-methylthiophen-2-yl)ethanol
CID 102765292
2-cyclopropyl-1-(2,4,6-trimethylphenyl)propan-1-amine
CID 83154874
2-cyclopropyl-1-(2,4,5-trimethylphenyl)propan-1-amine
CID 104990610
2-chloro-5-(1-chloro-2-cyclobutylethyl)-3-methylthiophene
CID 103166064
(5-chloro-4-methylthiophen-2-yl)-piperidin-4-ylmethanol
CID 102764357
1-(4-bromo-5-chlorothiophen-2-yl)-2-cyclopropyl-N-methylpropan-1-amine
CID 102828326
1-(5-chloro-4-methylthiophen-2-yl)-2-methylpropan-1-ol
CID 102764468

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-4-methylthiophen-2-yl)-2-cyclopropylpropan-1-amine?
The IUPAC name of 1-(5-chloro-4-methylthiophen-2-yl)-2-cyclopropylpropan-1-amine (CID 102763474) is 1-(5-chloro-4-methylthiophen-2-yl)-2-cyclopropylpropan-1-amine.
What is the SMILES notation for 1-(5-chloro-4-methylthiophen-2-yl)-2-cyclopropylpropan-1-amine?
The canonical SMILES for 1-(5-chloro-4-methylthiophen-2-yl)-2-cyclopropylpropan-1-amine is Cc1cc(C(N)C(C)C2CC2)sc1Cl.
What is the InChIKey of 1-(5-chloro-4-methylthiophen-2-yl)-2-cyclopropylpropan-1-amine?
The InChIKey is ZAWJFSOPTVNXCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClNS/c1-6-5-9(14-11(6)12)10(13)7(2)8-3-4-8/h5,7-8,10H,3-4,13H2,1-2H3.
What are the key properties of 1-(5-chloro-4-methylthiophen-2-yl)-2-cyclopropylpropan-1-amine?
1-(5-chloro-4-methylthiophen-2-yl)-2-cyclopropylpropan-1-amine has a molecular weight of 229.78 g/mol, XLogP of 3.76, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-4-methylthiophen-2-yl)-2-cyclopropylpropan-1-amine is sourced from PubChem (CID 102763474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).