2-(5-chlorothiophen-2-yl)-4-methylcyclohexan-1-amine

C11H16ClNS — CID 81014496

IUPAC2-(5-chlorothiophen-2-yl)-4-methylcyclohexan-1-amine
SMILESCC1CCC(N)C(c2ccc(Cl)s2)C1
InChIInChI=1S/C11H16ClNS/c1-7-2-3-9(13)8(6-7)10-4-5-11(12)14-10/h4-5,7-9H,2-3,6,13H2,1H3
InChIKeyXNYMDSNTOJZOKV-UHFFFAOYSA-N
MW229.78 g/mol
LogP3.63
Rot. Bonds1

About 2-(5-chlorothiophen-2-yl)-4-methylcyclohexan-1-amine

2-(5-chlorothiophen-2-yl)-4-methylcyclohexan-1-amine (PubChem CID 81014496) has the molecular formula C11H16ClNS and a molecular weight of 229.78 g/mol. Its IUPAC name is 2-(5-chlorothiophen-2-yl)-4-methylcyclohexan-1-amine.

Molecular Properties

Compound Name2-(5-chlorothiophen-2-yl)-4-methylcyclohexan-1-amine
PubChem CID81014496
Molecular FormulaC11H16ClNS
Molecular Weight229.78 g/mol
Exact Mass229.07
IUPAC Name2-(5-chlorothiophen-2-yl)-4-methylcyclohexan-1-amine
SMILESCC1CCC(N)C(c2ccc(Cl)s2)C1
InChIInChI=1S/C11H16ClNS/c1-7-2-3-9(13)8(6-7)10-4-5-11(12)14-10/h4-5,7-9H,2-3,6,13H2,1H3
InChIKeyXNYMDSNTOJZOKV-UHFFFAOYSA-N
XLogP3.63
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.78
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(5-chlorothiophen-2-yl)-4-methylcyclohexyl]-N-methylmethanamine
CID 81031868
N-[[2-(5-chlorothiophen-2-yl)-4-methylcyclohexyl]methyl]propan-2-amine
CID 81032279
2-chloro-5-(2-ethylcyclopropyl)thiophene
CID 174655040
2-[[(5-chlorothiophen-2-yl)methyl-methylamino]methyl]-4-methylcyclohexan-1-amine
CID 62611523
2-(2,5-dichlorophenyl)-4-methylcyclohexan-1-amine
CID 81013313
N-[[2-(5-chlorothiophen-2-yl)cyclopropyl]methyl]propan-1-amine
CID 62708727
[2-(5-chlorothiophen-2-yl)-4-propan-2-ylcyclohexyl]methanamine
CID 81012904
4-methyl-2-naphthalen-2-ylcyclohexan-1-amine
CID 81013945
[2-(5-chlorothiophen-2-yl)-4,4-dimethylcyclohexyl]methanamine
CID 81011753
trans-(1R,2R)-2-(5-chlorothiophen-2-yl)cyclopropane-1-carbonyl chloride
CID 89411637
1-[2-(5-chlorothiophen-2-yl)cycloheptyl]-N-methylmethanamine
CID 81025679
N-[[2-(5-chlorothiophen-2-yl)cyclopentyl]methyl]ethanamine
CID 81033855

Frequently Asked Questions

What is the IUPAC name of 2-(5-chlorothiophen-2-yl)-4-methylcyclohexan-1-amine?
The IUPAC name of 2-(5-chlorothiophen-2-yl)-4-methylcyclohexan-1-amine (CID 81014496) is 2-(5-chlorothiophen-2-yl)-4-methylcyclohexan-1-amine.
What is the SMILES notation for 2-(5-chlorothiophen-2-yl)-4-methylcyclohexan-1-amine?
The canonical SMILES for 2-(5-chlorothiophen-2-yl)-4-methylcyclohexan-1-amine is CC1CCC(N)C(c2ccc(Cl)s2)C1.
What is the InChIKey of 2-(5-chlorothiophen-2-yl)-4-methylcyclohexan-1-amine?
The InChIKey is XNYMDSNTOJZOKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClNS/c1-7-2-3-9(13)8(6-7)10-4-5-11(12)14-10/h4-5,7-9H,2-3,6,13H2,1H3.
What are the key properties of 2-(5-chlorothiophen-2-yl)-4-methylcyclohexan-1-amine?
2-(5-chlorothiophen-2-yl)-4-methylcyclohexan-1-amine has a molecular weight of 229.78 g/mol, XLogP of 3.63, 1 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)-4-methylcyclohexan-1-amine is sourced from PubChem (CID 81014496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).