1-(4,4-difluorocyclohexyl)-1-(furan-2-yl)-N-methylmethanamine

C12H17F2NO — CID 105147024

IUPAC1-(4,4-difluorocyclohexyl)-1-(furan-2-yl)-N-methylmethanamine
SMILESCNC(c1ccco1)C1CCC(F)(F)CC1
InChIInChI=1S/C12H17F2NO/c1-15-11(10-3-2-8-16-10)9-4-6-12(13,14)7-5-9/h2-3,8-9,11,15H,4-7H2,1H3
InChIKeyLZMGKFXJYQBEBY-UHFFFAOYSA-N
MW229.27 g/mol
LogP3.37
Rot. Bonds3

About 1-(4,4-difluorocyclohexyl)-1-(furan-2-yl)-N-methylmethanamine

1-(4,4-difluorocyclohexyl)-1-(furan-2-yl)-N-methylmethanamine (PubChem CID 105147024) has the molecular formula C12H17F2NO and a molecular weight of 229.27 g/mol. Its IUPAC name is 1-(4,4-difluorocyclohexyl)-1-(furan-2-yl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(4,4-difluorocyclohexyl)-1-(furan-2-yl)-N-methylmethanamine
PubChem CID105147024
Molecular FormulaC12H17F2NO
Molecular Weight229.27 g/mol
Exact Mass229.13
IUPAC Name1-(4,4-difluorocyclohexyl)-1-(furan-2-yl)-N-methylmethanamine
SMILESCNC(c1ccco1)C1CCC(F)(F)CC1
InChIInChI=1S/C12H17F2NO/c1-15-11(10-3-2-8-16-10)9-4-6-12(13,14)7-5-9/h2-3,8-9,11,15H,4-7H2,1H3
InChIKeyLZMGKFXJYQBEBY-UHFFFAOYSA-N
XLogP3.37
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.27
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4,4-difluorocyclohexyl)-1-(2,6-difluorophenyl)-N-methylmethanamine
CID 105149449
1-(4,4-difluorocyclohexyl)-N-methyl-1-(4-propan-2-ylphenyl)methanamine
CID 105144881
N-[(4,4-dimethylcyclohexyl)-(furan-2-yl)methyl]ethanamine
CID 65390247
1-(4,4-difluorocyclohexyl)-N-methyl-1-thiophen-3-ylmethanamine
CID 105154096
1-(4,4-difluorocyclohexyl)-1-(5-fluoro-1-benzofuran-2-yl)-N-methylmethanamine
CID 105185874
1-(furan-2-yl)-N-methyl-1-[2-(trifluoromethyl)cyclohexyl]methanamine
CID 105147062
1-(furan-2-yl)-N-methyl-1-(3-oxabicyclo[3.1.0]hexan-6-yl)methanamine
CID 131204430
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
1-(4,4-difluorocyclohexyl)-1-(3-fluoro-4-methylphenyl)-N-methylmethanamine
CID 107130403
1-(3-cyclopropyloxyphenyl)-1-(4,4-difluorocyclohexyl)-N-methylmethanamine
CID 105188648
1-(4,4-difluorocyclohexyl)-2-(furan-2-yl)ethanamine
CID 105177457

Frequently Asked Questions

What is the IUPAC name of 1-(4,4-difluorocyclohexyl)-1-(furan-2-yl)-N-methylmethanamine?
The IUPAC name of 1-(4,4-difluorocyclohexyl)-1-(furan-2-yl)-N-methylmethanamine (CID 105147024) is 1-(4,4-difluorocyclohexyl)-1-(furan-2-yl)-N-methylmethanamine.
What is the SMILES notation for 1-(4,4-difluorocyclohexyl)-1-(furan-2-yl)-N-methylmethanamine?
The canonical SMILES for 1-(4,4-difluorocyclohexyl)-1-(furan-2-yl)-N-methylmethanamine is CNC(c1ccco1)C1CCC(F)(F)CC1.
What is the InChIKey of 1-(4,4-difluorocyclohexyl)-1-(furan-2-yl)-N-methylmethanamine?
The InChIKey is LZMGKFXJYQBEBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F2NO/c1-15-11(10-3-2-8-16-10)9-4-6-12(13,14)7-5-9/h2-3,8-9,11,15H,4-7H2,1H3.
What are the key properties of 1-(4,4-difluorocyclohexyl)-1-(furan-2-yl)-N-methylmethanamine?
1-(4,4-difluorocyclohexyl)-1-(furan-2-yl)-N-methylmethanamine has a molecular weight of 229.27 g/mol, XLogP of 3.37, 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)-1-(furan-2-yl)-N-methylmethanamine is sourced from PubChem (CID 105147024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).