2-(5-chlorothiophen-2-yl)-1-(1-methoxy-4,4-dimethylcyclohexyl)ethanamine

C15H24ClNOS — CID 116769036

IUPAC2-(5-chlorothiophen-2-yl)-1-(1-methoxy-4,4-dimethylcyclohexyl)ethanamine
SMILESCOC1(C(N)Cc2ccc(Cl)s2)CCC(C)(C)CC1
InChIInChI=1S/C15H24ClNOS/c1-14(2)6-8-15(18-3,9-7-14)12(17)10-11-4-5-13(16)19-11/h4-5,12H,6-10,17H2,1-3H3
InChIKeyDXCGMUWPVSSCDJ-UHFFFAOYSA-N
MW301.88 g/mol
LogP4.26
Rot. Bonds4

About 2-(5-chlorothiophen-2-yl)-1-(1-methoxy-4,4-dimethylcyclohexyl)ethanamine

2-(5-chlorothiophen-2-yl)-1-(1-methoxy-4,4-dimethylcyclohexyl)ethanamine (PubChem CID 116769036) has the molecular formula C15H24ClNOS and a molecular weight of 301.88 g/mol. Its IUPAC name is 2-(5-chlorothiophen-2-yl)-1-(1-methoxy-4,4-dimethylcyclohexyl)ethanamine.

Molecular Properties

Compound Name2-(5-chlorothiophen-2-yl)-1-(1-methoxy-4,4-dimethylcyclohexyl)ethanamine
PubChem CID116769036
Molecular FormulaC15H24ClNOS
Molecular Weight301.88 g/mol
Exact Mass301.13
IUPAC Name2-(5-chlorothiophen-2-yl)-1-(1-methoxy-4,4-dimethylcyclohexyl)ethanamine
SMILESCOC1(C(N)Cc2ccc(Cl)s2)CCC(C)(C)CC1
InChIInChI=1S/C15H24ClNOS/c1-14(2)6-8-15(18-3,9-7-14)12(17)10-11-4-5-13(16)19-11/h4-5,12H,6-10,17H2,1-3H3
InChIKeyDXCGMUWPVSSCDJ-UHFFFAOYSA-N
XLogP4.26
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.88
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,6-difluorophenyl)-1-(1-methoxy-4,4-dimethylcyclohexyl)ethanamine
CID 114932736
2-(3,4-dimethylphenyl)-1-(1-methoxy-4,4-dimethylcyclohexyl)ethanamine
CID 116769197
2-(3-bromophenyl)-1-(1-methoxy-4,4-dimethylcyclohexyl)ethanamine
CID 116769029
1-[1-amino-2-(5-chlorothiophen-2-yl)ethyl]-N,N,3-trimethylcyclohexan-1-amine
CID 79074614
2-(5-chlorothiophen-2-yl)-1-cyclopropylethanamine
CID 62602598
2-(3,4-dichlorophenyl)-1-(4-methoxyoxan-4-yl)ethanamine
CID 116764414
1-(1-methoxy-4,4-dimethylcyclohexyl)-3-phenylpropan-1-amine
CID 116768960
2-(4-bromo-2-chlorophenyl)-1-(4-methoxyoxan-4-yl)ethanamine
CID 116764303
2-(2-chloro-3-fluorophenyl)-1-(4-methoxyoxan-4-yl)ethanamine
CID 116764439
2-(5-bromothiophen-2-yl)-1-(1-methoxy-4,4-dimethylcyclohexyl)-N-methylethanamine
CID 116769276
(2-chlorophenyl)-(1-methoxy-4,4-dimethylcyclohexyl)methanamine
CID 116769102
2-(2-chlorophenyl)-1-(1-methoxycycloheptyl)ethanamine
CID 116769828

Frequently Asked Questions

What is the IUPAC name of 2-(5-chlorothiophen-2-yl)-1-(1-methoxy-4,4-dimethylcyclohexyl)ethanamine?
The IUPAC name of 2-(5-chlorothiophen-2-yl)-1-(1-methoxy-4,4-dimethylcyclohexyl)ethanamine (CID 116769036) is 2-(5-chlorothiophen-2-yl)-1-(1-methoxy-4,4-dimethylcyclohexyl)ethanamine.
What is the SMILES notation for 2-(5-chlorothiophen-2-yl)-1-(1-methoxy-4,4-dimethylcyclohexyl)ethanamine?
The canonical SMILES for 2-(5-chlorothiophen-2-yl)-1-(1-methoxy-4,4-dimethylcyclohexyl)ethanamine is COC1(C(N)Cc2ccc(Cl)s2)CCC(C)(C)CC1.
What is the InChIKey of 2-(5-chlorothiophen-2-yl)-1-(1-methoxy-4,4-dimethylcyclohexyl)ethanamine?
The InChIKey is DXCGMUWPVSSCDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24ClNOS/c1-14(2)6-8-15(18-3,9-7-14)12(17)10-11-4-5-13(16)19-11/h4-5,12H,6-10,17H2,1-3H3.
What are the key properties of 2-(5-chlorothiophen-2-yl)-1-(1-methoxy-4,4-dimethylcyclohexyl)ethanamine?
2-(5-chlorothiophen-2-yl)-1-(1-methoxy-4,4-dimethylcyclohexyl)ethanamine has a molecular weight of 301.88 g/mol, XLogP of 4.26, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chlorothiophen-2-yl)-1-(1-methoxy-4,4-dimethylcyclohexyl)ethanamine is sourced from PubChem (CID 116769036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).