1-(4,4-difluorocyclohexyl)-N-methyl-1-thiophen-3-ylmethanamine

C12H17F2NS — CID 105154096

IUPAC1-(4,4-difluorocyclohexyl)-N-methyl-1-thiophen-3-ylmethanamine
SMILESCNC(c1ccsc1)C1CCC(F)(F)CC1
InChIInChI=1S/C12H17F2NS/c1-15-11(10-4-7-16-8-10)9-2-5-12(13,14)6-3-9/h4,7-9,11,15H,2-3,5-6H2,1H3
InChIKeyDHIINNFWUXVXEN-UHFFFAOYSA-N
MW245.34 g/mol
LogP3.83
Rot. Bonds3

About 1-(4,4-difluorocyclohexyl)-N-methyl-1-thiophen-3-ylmethanamine

1-(4,4-difluorocyclohexyl)-N-methyl-1-thiophen-3-ylmethanamine (PubChem CID 105154096) has the molecular formula C12H17F2NS and a molecular weight of 245.34 g/mol. Its IUPAC name is 1-(4,4-difluorocyclohexyl)-N-methyl-1-thiophen-3-ylmethanamine.

Molecular Properties

Compound Name1-(4,4-difluorocyclohexyl)-N-methyl-1-thiophen-3-ylmethanamine
PubChem CID105154096
Molecular FormulaC12H17F2NS
Molecular Weight245.34 g/mol
Exact Mass245.10
IUPAC Name1-(4,4-difluorocyclohexyl)-N-methyl-1-thiophen-3-ylmethanamine
SMILESCNC(c1ccsc1)C1CCC(F)(F)CC1
InChIInChI=1S/C12H17F2NS/c1-15-11(10-4-7-16-8-10)9-2-5-12(13,14)6-3-9/h4,7-9,11,15H,2-3,5-6H2,1H3
InChIKeyDHIINNFWUXVXEN-UHFFFAOYSA-N
XLogP3.83
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.34
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4,4-difluorocyclohexyl)-N-methyl-1-(4-propan-2-ylphenyl)methanamine
CID 105144881
N-methyl-1-thiophen-3-yl-1-[4-(trifluoromethyl)cyclohexyl]methanamine
CID 105154131
1-(4,4-difluorocyclohexyl)-1-(3-fluoro-4-methylphenyl)-N-methylmethanamine
CID 107130403
1-(4,4-difluorocyclohexyl)-1-(2,6-difluorophenyl)-N-methylmethanamine
CID 105149449
1-(2,2-dimethylcyclohexyl)-N-methyl-1-thiophen-3-ylmethanamine
CID 107189170
1-(4,4-difluorocyclohexyl)-1-(furan-2-yl)-N-methylmethanamine
CID 105147024
N-methyl-1-(2-methylcyclopropyl)-1-thiophen-3-ylmethanamine
CID 65420629
N-[(3,3-difluorocyclohexyl)-thiophen-3-ylmethyl]ethanamine
CID 114216048
1-(3-cyclopropyloxyphenyl)-1-(4,4-difluorocyclohexyl)-N-methylmethanamine
CID 105188648
(1S)-N-methyl-1-thiophen-3-ylethanamine
CID 92981912
1-(4,4-difluorocyclohexyl)-1-(2-fluoro-5-methylphenyl)-N-methylmethanamine
CID 105143269
1-(4,4-difluorocyclohexyl)-1-(4-fluoro-2-methylphenyl)-N-methylmethanamine
CID 105142852

Frequently Asked Questions

What is the IUPAC name of 1-(4,4-difluorocyclohexyl)-N-methyl-1-thiophen-3-ylmethanamine?
The IUPAC name of 1-(4,4-difluorocyclohexyl)-N-methyl-1-thiophen-3-ylmethanamine (CID 105154096) is 1-(4,4-difluorocyclohexyl)-N-methyl-1-thiophen-3-ylmethanamine.
What is the SMILES notation for 1-(4,4-difluorocyclohexyl)-N-methyl-1-thiophen-3-ylmethanamine?
The canonical SMILES for 1-(4,4-difluorocyclohexyl)-N-methyl-1-thiophen-3-ylmethanamine is CNC(c1ccsc1)C1CCC(F)(F)CC1.
What is the InChIKey of 1-(4,4-difluorocyclohexyl)-N-methyl-1-thiophen-3-ylmethanamine?
The InChIKey is DHIINNFWUXVXEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F2NS/c1-15-11(10-4-7-16-8-10)9-2-5-12(13,14)6-3-9/h4,7-9,11,15H,2-3,5-6H2,1H3.
What are the key properties of 1-(4,4-difluorocyclohexyl)-N-methyl-1-thiophen-3-ylmethanamine?
1-(4,4-difluorocyclohexyl)-N-methyl-1-thiophen-3-ylmethanamine has a molecular weight of 245.34 g/mol, XLogP of 3.83, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,4-difluorocyclohexyl)-N-methyl-1-thiophen-3-ylmethanamine is sourced from PubChem (CID 105154096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).