[2-[(5-chlorothiophen-2-yl)methyl]cyclohexyl]methanamine

C12H18ClNS — CID 81009812

IUPAC[2-[(5-chlorothiophen-2-yl)methyl]cyclohexyl]methanamine
SMILESNCC1CCCCC1Cc1ccc(Cl)s1
InChIInChI=1S/C12H18ClNS/c13-12-6-5-11(15-12)7-9-3-1-2-4-10(9)8-14/h5-6,9-10H,1-4,7-8,14H2
InChIKeyPXACEYRNVQWKMW-UHFFFAOYSA-N
MW243.80 g/mol
LogP3.71
Rot. Bonds3

About [2-[(5-chlorothiophen-2-yl)methyl]cyclohexyl]methanamine

[2-[(5-chlorothiophen-2-yl)methyl]cyclohexyl]methanamine (PubChem CID 81009812) has the molecular formula C12H18ClNS and a molecular weight of 243.80 g/mol. Its IUPAC name is [2-[(5-chlorothiophen-2-yl)methyl]cyclohexyl]methanamine.

Molecular Properties

Compound Name[2-[(5-chlorothiophen-2-yl)methyl]cyclohexyl]methanamine
PubChem CID81009812
Molecular FormulaC12H18ClNS
Molecular Weight243.80 g/mol
Exact Mass243.08
IUPAC Name[2-[(5-chlorothiophen-2-yl)methyl]cyclohexyl]methanamine
SMILESNCC1CCCCC1Cc1ccc(Cl)s1
InChIInChI=1S/C12H18ClNS/c13-12-6-5-11(15-12)7-9-3-1-2-4-10(9)8-14/h5-6,9-10H,1-4,7-8,14H2
InChIKeyPXACEYRNVQWKMW-UHFFFAOYSA-N
XLogP3.71
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.80
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(5-Chlorothiophen-2-yl)butan-1-amine hydrochloride
CID 102555175
2-[(5-Chlorothiophen-2-yl)methyl]-3-(2-fluorophenyl)propan-1-amine
CID 55084080
2-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-3-(3-fluorophenyl)propan-1-amine
CID 62514552
2-[(5-chlorothiophen-2-yl)methyl]-3-(3-fluorophenyl)-N-methylpropan-1-amine
CID 62514723
2-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-3-(2-fluorophenyl)propan-1-amine
CID 62515278
2-[(5-chlorothiophen-2-yl)methyl]-3-(2-fluorophenyl)-N-methylpropan-1-amine
CID 62515622
2-[(5-chlorothiophen-2-yl)methyl]-3-(4-fluorophenyl)-N-methylpropan-1-amine
CID 62516076
2-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-3-(4-fluorophenyl)propan-1-amine
CID 62516079
2-[(5-Chlorothiophen-2-yl)methyl]-3-(4-fluorophenyl)propan-1-amine
CID 62529381
2-[(5-Chlorothiophen-2-yl)methyl]-3-(3-fluorophenyl)propan-1-amine
CID 62529799
1-(5-Chlorothiophen-2-yl)-3-(4-fluorophenyl)propan-2-amine
CID 62601233
1-(5-Chlorothiophen-2-yl)-3-(3-fluorophenyl)propan-2-amine
CID 62601964

Frequently Asked Questions

What is the IUPAC name of [2-[(5-chlorothiophen-2-yl)methyl]cyclohexyl]methanamine?
The IUPAC name of [2-[(5-chlorothiophen-2-yl)methyl]cyclohexyl]methanamine (CID 81009812) is [2-[(5-chlorothiophen-2-yl)methyl]cyclohexyl]methanamine.
What is the SMILES notation for [2-[(5-chlorothiophen-2-yl)methyl]cyclohexyl]methanamine?
The canonical SMILES for [2-[(5-chlorothiophen-2-yl)methyl]cyclohexyl]methanamine is NCC1CCCCC1Cc1ccc(Cl)s1.
What is the InChIKey of [2-[(5-chlorothiophen-2-yl)methyl]cyclohexyl]methanamine?
The InChIKey is PXACEYRNVQWKMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClNS/c13-12-6-5-11(15-12)7-9-3-1-2-4-10(9)8-14/h5-6,9-10H,1-4,7-8,14H2.
What are the key properties of [2-[(5-chlorothiophen-2-yl)methyl]cyclohexyl]methanamine?
[2-[(5-chlorothiophen-2-yl)methyl]cyclohexyl]methanamine has a molecular weight of 243.80 g/mol, XLogP of 3.71, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(5-chlorothiophen-2-yl)methyl]cyclohexyl]methanamine is sourced from PubChem (CID 81009812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).