N-[[2-(5-chlorothiophen-2-yl)-4-methylcyclohexyl]methyl]propan-2-amine

C15H24ClNS — CID 81032279

IUPACN-[[2-(5-chlorothiophen-2-yl)-4-methylcyclohexyl]methyl]propan-2-amine
SMILESCC1CCC(CNC(C)C)C(c2ccc(Cl)s2)C1
InChIInChI=1S/C15H24ClNS/c1-10(2)17-9-12-5-4-11(3)8-13(12)14-6-7-15(16)18-14/h6-7,10-13,17H,4-5,8-9H2,1-3H3
InChIKeyCLUDFKBCZQCEFY-UHFFFAOYSA-N
MW285.88 g/mol
LogP4.92
Rot. Bonds4

About N-[[2-(5-chlorothiophen-2-yl)-4-methylcyclohexyl]methyl]propan-2-amine

N-[[2-(5-chlorothiophen-2-yl)-4-methylcyclohexyl]methyl]propan-2-amine (PubChem CID 81032279) has the molecular formula C15H24ClNS and a molecular weight of 285.88 g/mol. Its IUPAC name is N-[[2-(5-chlorothiophen-2-yl)-4-methylcyclohexyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[2-(5-chlorothiophen-2-yl)-4-methylcyclohexyl]methyl]propan-2-amine
PubChem CID81032279
Molecular FormulaC15H24ClNS
Molecular Weight285.88 g/mol
Exact Mass285.13
IUPAC NameN-[[2-(5-chlorothiophen-2-yl)-4-methylcyclohexyl]methyl]propan-2-amine
SMILESCC1CCC(CNC(C)C)C(c2ccc(Cl)s2)C1
InChIInChI=1S/C15H24ClNS/c1-10(2)17-9-12-5-4-11(3)8-13(12)14-6-7-15(16)18-14/h6-7,10-13,17H,4-5,8-9H2,1-3H3
InChIKeyCLUDFKBCZQCEFY-UHFFFAOYSA-N
XLogP4.92
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.88
LogP ≤ 54.92
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-ethylcyclohexyl]methyl]propan-2-amine
CID 81029796
2-(5-chlorothiophen-2-yl)-4-methylcyclohexan-1-amine
CID 81014496
N-[[2-(5-chlorothiophen-2-yl)cyclopropyl]methyl]propan-1-amine
CID 62708727
N-[[4-methyl-2-(5-methylthiophen-3-yl)cyclohexyl]methyl]propan-2-amine
CID 81032270
1-[2-(5-chlorothiophen-2-yl)cycloheptyl]-N-methylmethanamine
CID 81025679
[2-(5-chlorothiophen-2-yl)-4-propan-2-ylcyclohexyl]methanamine
CID 81012904
2-chloro-5-(2-ethylcyclopropyl)thiophene
CID 174655040
N-[[2-(5-chlorothiophen-2-yl)cyclopentyl]methyl]ethanamine
CID 81033855
N-[[4-tert-butyl-2-(5-chlorothiophen-2-yl)cyclohexyl]methyl]ethanamine
CID 81031211
N-[[2-(2-ethoxyphenyl)-4-methylcyclohexyl]methyl]propan-2-amine
CID 81033640
N-[[2-(3-fluoro-5-methylphenyl)-4-methylcyclohexyl]methyl]propan-2-amine
CID 81031516

Frequently Asked Questions

What is the IUPAC name of N-[[2-(5-chlorothiophen-2-yl)-4-methylcyclohexyl]methyl]propan-2-amine?
The IUPAC name of N-[[2-(5-chlorothiophen-2-yl)-4-methylcyclohexyl]methyl]propan-2-amine (CID 81032279) is N-[[2-(5-chlorothiophen-2-yl)-4-methylcyclohexyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[2-(5-chlorothiophen-2-yl)-4-methylcyclohexyl]methyl]propan-2-amine?
The canonical SMILES for N-[[2-(5-chlorothiophen-2-yl)-4-methylcyclohexyl]methyl]propan-2-amine is CC1CCC(CNC(C)C)C(c2ccc(Cl)s2)C1.
What is the InChIKey of N-[[2-(5-chlorothiophen-2-yl)-4-methylcyclohexyl]methyl]propan-2-amine?
The InChIKey is CLUDFKBCZQCEFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24ClNS/c1-10(2)17-9-12-5-4-11(3)8-13(12)14-6-7-15(16)18-14/h6-7,10-13,17H,4-5,8-9H2,1-3H3.
What are the key properties of N-[[2-(5-chlorothiophen-2-yl)-4-methylcyclohexyl]methyl]propan-2-amine?
N-[[2-(5-chlorothiophen-2-yl)-4-methylcyclohexyl]methyl]propan-2-amine has a molecular weight of 285.88 g/mol, XLogP of 4.92, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(5-chlorothiophen-2-yl)-4-methylcyclohexyl]methyl]propan-2-amine is sourced from PubChem (CID 81032279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).