1-(4,4-difluorocyclohexyl)-1-(2,6-difluorophenyl)-N-methylmethanamine

C14H17F4N — CID 105149449

IUPAC1-(4,4-difluorocyclohexyl)-1-(2,6-difluorophenyl)-N-methylmethanamine
SMILESCNC(c1c(F)cccc1F)C1CCC(F)(F)CC1
InChIInChI=1S/C14H17F4N/c1-19-13(9-5-7-14(17,18)8-6-9)12-10(15)3-2-4-11(12)16/h2-4,9,13,19H,5-8H2,1H3
InChIKeyGVYQBZWHCGRZRN-UHFFFAOYSA-N
MW275.29 g/mol
LogP4.05
Rot. Bonds3

About 1-(4,4-difluorocyclohexyl)-1-(2,6-difluorophenyl)-N-methylmethanamine

1-(4,4-difluorocyclohexyl)-1-(2,6-difluorophenyl)-N-methylmethanamine (PubChem CID 105149449) has the molecular formula C14H17F4N and a molecular weight of 275.29 g/mol. Its IUPAC name is 1-(4,4-difluorocyclohexyl)-1-(2,6-difluorophenyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(4,4-difluorocyclohexyl)-1-(2,6-difluorophenyl)-N-methylmethanamine
PubChem CID105149449
Molecular FormulaC14H17F4N
Molecular Weight275.29 g/mol
Exact Mass275.13
IUPAC Name1-(4,4-difluorocyclohexyl)-1-(2,6-difluorophenyl)-N-methylmethanamine
SMILESCNC(c1c(F)cccc1F)C1CCC(F)(F)CC1
InChIInChI=1S/C14H17F4N/c1-19-13(9-5-7-14(17,18)8-6-9)12-10(15)3-2-4-11(12)16/h2-4,9,13,19H,5-8H2,1H3
InChIKeyGVYQBZWHCGRZRN-UHFFFAOYSA-N
XLogP4.05
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.29
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4,4-difluorocyclohexyl)-1-(2-fluoro-5-methylphenyl)-N-methylmethanamine
CID 105143269
1-(4,4-difluorocyclohexyl)-1-(3-fluoro-4-methylphenyl)-N-methylmethanamine
CID 107130403
1-(4,4-difluorocyclohexyl)-N-methyl-1-(4-propan-2-ylphenyl)methanamine
CID 105144881
1-(2,6-difluorophenyl)-N-methyl-1-(thiolan-3-yl)methanamine
CID 105149389
1-(4,4-difluorocyclohexyl)-1-(furan-2-yl)-N-methylmethanamine
CID 105147024
1-(2,6-difluorophenyl)-N-methyl-1-(6-oxaspiro[4.5]decan-9-yl)methanamine
CID 79907559
1-(4-butylcyclohexyl)-1-(2,6-difluorophenyl)-N-methylmethanamine
CID 115859834
1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-1-(2,6-difluorophenyl)-N-methylmethanamine
CID 115859863
1-(2-fluorophenyl)-N-methyl-1-(4-propan-2-ylcyclohexyl)methanamine
CID 65424379
1-(4,4-difluorocyclohexyl)-N-methyl-1-thiophen-3-ylmethanamine
CID 105154096
1-(4,4-difluorocyclohexyl)-1-(4-fluoro-2-methylphenyl)-N-methylmethanamine
CID 105142852
1-(3-cyclopropyloxyphenyl)-1-(4,4-difluorocyclohexyl)-N-methylmethanamine
CID 105188648

Frequently Asked Questions

What is the IUPAC name of 1-(4,4-difluorocyclohexyl)-1-(2,6-difluorophenyl)-N-methylmethanamine?
The IUPAC name of 1-(4,4-difluorocyclohexyl)-1-(2,6-difluorophenyl)-N-methylmethanamine (CID 105149449) is 1-(4,4-difluorocyclohexyl)-1-(2,6-difluorophenyl)-N-methylmethanamine.
What is the SMILES notation for 1-(4,4-difluorocyclohexyl)-1-(2,6-difluorophenyl)-N-methylmethanamine?
The canonical SMILES for 1-(4,4-difluorocyclohexyl)-1-(2,6-difluorophenyl)-N-methylmethanamine is CNC(c1c(F)cccc1F)C1CCC(F)(F)CC1.
What is the InChIKey of 1-(4,4-difluorocyclohexyl)-1-(2,6-difluorophenyl)-N-methylmethanamine?
The InChIKey is GVYQBZWHCGRZRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F4N/c1-19-13(9-5-7-14(17,18)8-6-9)12-10(15)3-2-4-11(12)16/h2-4,9,13,19H,5-8H2,1H3.
What are the key properties of 1-(4,4-difluorocyclohexyl)-1-(2,6-difluorophenyl)-N-methylmethanamine?
1-(4,4-difluorocyclohexyl)-1-(2,6-difluorophenyl)-N-methylmethanamine has a molecular weight of 275.29 g/mol, XLogP of 4.05, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,4-difluorocyclohexyl)-1-(2,6-difluorophenyl)-N-methylmethanamine is sourced from PubChem (CID 105149449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).