1-(5-chlorothiophen-2-yl)-1-(2,2-dimethylcyclohexyl)-N-methylmethanamine

C14H22ClNS — CID 107177267

IUPAC1-(5-chlorothiophen-2-yl)-1-(2,2-dimethylcyclohexyl)-N-methylmethanamine
SMILESCNC(c1ccc(Cl)s1)C1CCCCC1(C)C
InChIInChI=1S/C14H22ClNS/c1-14(2)9-5-4-6-10(14)13(16-3)11-7-8-12(15)17-11/h7-8,10,13,16H,4-6,9H2,1-3H3
InChIKeyMPVXWSFLXVBVIR-UHFFFAOYSA-N
MW271.86 g/mol
LogP4.88
Rot. Bonds3

About 1-(5-chlorothiophen-2-yl)-1-(2,2-dimethylcyclohexyl)-N-methylmethanamine

1-(5-chlorothiophen-2-yl)-1-(2,2-dimethylcyclohexyl)-N-methylmethanamine (PubChem CID 107177267) has the molecular formula C14H22ClNS and a molecular weight of 271.86 g/mol. Its IUPAC name is 1-(5-chlorothiophen-2-yl)-1-(2,2-dimethylcyclohexyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(5-chlorothiophen-2-yl)-1-(2,2-dimethylcyclohexyl)-N-methylmethanamine
PubChem CID107177267
Molecular FormulaC14H22ClNS
Molecular Weight271.86 g/mol
Exact Mass271.12
IUPAC Name1-(5-chlorothiophen-2-yl)-1-(2,2-dimethylcyclohexyl)-N-methylmethanamine
SMILESCNC(c1ccc(Cl)s1)C1CCCCC1(C)C
InChIInChI=1S/C14H22ClNS/c1-14(2)9-5-4-6-10(14)13(16-3)11-7-8-12(15)17-11/h7-8,10,13,16H,4-6,9H2,1-3H3
InChIKeyMPVXWSFLXVBVIR-UHFFFAOYSA-N
XLogP4.88
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.86
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,2-dimethylcyclohexyl)-N-methyl-1-(5-methylthiophen-2-yl)methanamine
CID 107177149
2-[bromo-(2,2-dimethylcyclopentyl)methyl]-5-chlorothiophene
CID 107182254
2-(5-chlorothiophen-2-yl)-1-(2,2-dimethylcyclopentyl)-N-methylethanamine
CID 107188272
1-(5-chlorothiophen-2-yl)-N-methyl-1-(2,2,3,3-tetramethylcyclopropyl)methanamine
CID 66475536
1-(2,2-dimethylcyclohexyl)-N-methyl-1-thiophen-3-ylmethanamine
CID 107189170
1-(2,4-dichlorophenyl)-1-(2,2-dimethylcyclohexyl)-N-methylmethanamine
CID 107177661
1-(4-chlorophenyl)-1-(2,2-dimethylcyclopentyl)-N-methylmethanamine
CID 107177171
1-(4-tert-butylcyclohexyl)-1-(5-chlorothiophen-2-yl)-N-methylmethanamine
CID 55196430
1-(3,4-difluorophenyl)-1-(2,2-dimethylcyclohexyl)-N-methylmethanamine
CID 107177248
1-(2,2-dimethylcyclohexyl)-1-[5-(methoxymethyl)furan-2-yl]-N-methylmethanamine
CID 107178220
1-(3-bromo-2,6-difluorophenyl)-1-(2,2-dimethylcyclohexyl)-N-methylmethanamine
CID 107191863
N-[(5-chlorothiophen-2-yl)-cycloheptylmethyl]ethanamine
CID 63508833

Frequently Asked Questions

What is the IUPAC name of 1-(5-chlorothiophen-2-yl)-1-(2,2-dimethylcyclohexyl)-N-methylmethanamine?
The IUPAC name of 1-(5-chlorothiophen-2-yl)-1-(2,2-dimethylcyclohexyl)-N-methylmethanamine (CID 107177267) is 1-(5-chlorothiophen-2-yl)-1-(2,2-dimethylcyclohexyl)-N-methylmethanamine.
What is the SMILES notation for 1-(5-chlorothiophen-2-yl)-1-(2,2-dimethylcyclohexyl)-N-methylmethanamine?
The canonical SMILES for 1-(5-chlorothiophen-2-yl)-1-(2,2-dimethylcyclohexyl)-N-methylmethanamine is CNC(c1ccc(Cl)s1)C1CCCCC1(C)C.
What is the InChIKey of 1-(5-chlorothiophen-2-yl)-1-(2,2-dimethylcyclohexyl)-N-methylmethanamine?
The InChIKey is MPVXWSFLXVBVIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22ClNS/c1-14(2)9-5-4-6-10(14)13(16-3)11-7-8-12(15)17-11/h7-8,10,13,16H,4-6,9H2,1-3H3.
What are the key properties of 1-(5-chlorothiophen-2-yl)-1-(2,2-dimethylcyclohexyl)-N-methylmethanamine?
1-(5-chlorothiophen-2-yl)-1-(2,2-dimethylcyclohexyl)-N-methylmethanamine has a molecular weight of 271.86 g/mol, XLogP of 4.88, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chlorothiophen-2-yl)-1-(2,2-dimethylcyclohexyl)-N-methylmethanamine is sourced from PubChem (CID 107177267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).