1-(4,4-difluorocyclohexyl)-1-(3-fluoro-4-methylphenyl)-N-methylmethanamine

C15H20F3N — CID 107130403

IUPAC1-(4,4-difluorocyclohexyl)-1-(3-fluoro-4-methylphenyl)-N-methylmethanamine
SMILESCNC(c1ccc(C)c(F)c1)C1CCC(F)(F)CC1
InChIInChI=1S/C15H20F3N/c1-10-3-4-12(9-13(10)16)14(19-2)11-5-7-15(17,18)8-6-11/h3-4,9,11,14,19H,5-8H2,1-2H3
InChIKeyRTHHVEAGIIQSDH-UHFFFAOYSA-N
MW271.33 g/mol
LogP4.22
Rot. Bonds3

About 1-(4,4-difluorocyclohexyl)-1-(3-fluoro-4-methylphenyl)-N-methylmethanamine

1-(4,4-difluorocyclohexyl)-1-(3-fluoro-4-methylphenyl)-N-methylmethanamine (PubChem CID 107130403) has the molecular formula C15H20F3N and a molecular weight of 271.33 g/mol. Its IUPAC name is 1-(4,4-difluorocyclohexyl)-1-(3-fluoro-4-methylphenyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(4,4-difluorocyclohexyl)-1-(3-fluoro-4-methylphenyl)-N-methylmethanamine
PubChem CID107130403
Molecular FormulaC15H20F3N
Molecular Weight271.33 g/mol
Exact Mass271.15
IUPAC Name1-(4,4-difluorocyclohexyl)-1-(3-fluoro-4-methylphenyl)-N-methylmethanamine
SMILESCNC(c1ccc(C)c(F)c1)C1CCC(F)(F)CC1
InChIInChI=1S/C15H20F3N/c1-10-3-4-12(9-13(10)16)14(19-2)11-5-7-15(17,18)8-6-11/h3-4,9,11,14,19H,5-8H2,1-2H3
InChIKeyRTHHVEAGIIQSDH-UHFFFAOYSA-N
XLogP4.22
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.33
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-cyclohexyl-1-(3-fluoro-4-methylphenyl)-N-methylmethanamine
CID 54919033
1-(4,4-difluorocyclohexyl)-N-methyl-1-(4-propan-2-ylphenyl)methanamine
CID 105144881
1-(4,4-difluorocyclohexyl)-1-(2-fluoro-5-methylphenyl)-N-methylmethanamine
CID 105143269
1-(4,4-difluorocyclohexyl)-1-(2,6-difluorophenyl)-N-methylmethanamine
CID 105149449
1-cyclopropyl-1-(3,4-difluorophenyl)-N-methylmethanamine
CID 43484588
1-(4,4-difluorocyclohexyl)-1-(4-fluoro-2-methylphenyl)-N-methylmethanamine
CID 105142852
1-(3-fluoro-4-methylphenyl)-N-methyl-1-(1,2,3,4-tetrahydronaphthalen-2-yl)methanamine
CID 107128830
[(3-chloro-4-methylphenyl)-(4,4-difluorocyclohexyl)methyl]hydrazine
CID 107562549
1-(4,4-difluorocyclohexyl)-N-methyl-1-thiophen-3-ylmethanamine
CID 105154096
N-[(3-fluoro-4-methylphenyl)-(4-propan-2-ylcyclohexyl)methyl]ethanamine
CID 107128810
1-(3-cyclopropyloxyphenyl)-1-(4,4-difluorocyclohexyl)-N-methylmethanamine
CID 105188648
1-(3-fluoro-4-methylphenyl)-N-methyl-1-(oxan-2-yl)methanamine
CID 107130447

Frequently Asked Questions

What is the IUPAC name of 1-(4,4-difluorocyclohexyl)-1-(3-fluoro-4-methylphenyl)-N-methylmethanamine?
The IUPAC name of 1-(4,4-difluorocyclohexyl)-1-(3-fluoro-4-methylphenyl)-N-methylmethanamine (CID 107130403) is 1-(4,4-difluorocyclohexyl)-1-(3-fluoro-4-methylphenyl)-N-methylmethanamine.
What is the SMILES notation for 1-(4,4-difluorocyclohexyl)-1-(3-fluoro-4-methylphenyl)-N-methylmethanamine?
The canonical SMILES for 1-(4,4-difluorocyclohexyl)-1-(3-fluoro-4-methylphenyl)-N-methylmethanamine is CNC(c1ccc(C)c(F)c1)C1CCC(F)(F)CC1.
What is the InChIKey of 1-(4,4-difluorocyclohexyl)-1-(3-fluoro-4-methylphenyl)-N-methylmethanamine?
The InChIKey is RTHHVEAGIIQSDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F3N/c1-10-3-4-12(9-13(10)16)14(19-2)11-5-7-15(17,18)8-6-11/h3-4,9,11,14,19H,5-8H2,1-2H3.
What are the key properties of 1-(4,4-difluorocyclohexyl)-1-(3-fluoro-4-methylphenyl)-N-methylmethanamine?
1-(4,4-difluorocyclohexyl)-1-(3-fluoro-4-methylphenyl)-N-methylmethanamine has a molecular weight of 271.33 g/mol, XLogP of 4.22, 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-(3-fluoro-4-methylphenyl)-N-methylmethanamine is sourced from PubChem (CID 107130403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).