1-(3-cyclopropyloxyphenyl)-1-(4,4-difluorocyclohexyl)-N-methylmethanamine

C17H23F2NO — CID 105188648

IUPAC1-(3-cyclopropyloxyphenyl)-1-(4,4-difluorocyclohexyl)-N-methylmethanamine
SMILESCNC(c1cccc(OC2CC2)c1)C1CCC(F)(F)CC1
InChIInChI=1S/C17H23F2NO/c1-20-16(12-7-9-17(18,19)10-8-12)13-3-2-4-15(11-13)21-14-5-6-14/h2-4,11-12,14,16,20H,5-10H2,1H3
InChIKeyFFYFPKGWDVOKTH-UHFFFAOYSA-N
MW295.37 g/mol
LogP4.31
Rot. Bonds5

About 1-(3-cyclopropyloxyphenyl)-1-(4,4-difluorocyclohexyl)-N-methylmethanamine

1-(3-cyclopropyloxyphenyl)-1-(4,4-difluorocyclohexyl)-N-methylmethanamine (PubChem CID 105188648) has the molecular formula C17H23F2NO and a molecular weight of 295.37 g/mol. Its IUPAC name is 1-(3-cyclopropyloxyphenyl)-1-(4,4-difluorocyclohexyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(3-cyclopropyloxyphenyl)-1-(4,4-difluorocyclohexyl)-N-methylmethanamine
PubChem CID105188648
Molecular FormulaC17H23F2NO
Molecular Weight295.37 g/mol
Exact Mass295.17
IUPAC Name1-(3-cyclopropyloxyphenyl)-1-(4,4-difluorocyclohexyl)-N-methylmethanamine
SMILESCNC(c1cccc(OC2CC2)c1)C1CCC(F)(F)CC1
InChIInChI=1S/C17H23F2NO/c1-20-16(12-7-9-17(18,19)10-8-12)13-3-2-4-15(11-13)21-14-5-6-14/h2-4,11-12,14,16,20H,5-10H2,1H3
InChIKeyFFYFPKGWDVOKTH-UHFFFAOYSA-N
XLogP4.31
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.37
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-cyclopropyloxyphenyl)-1-(2,2-dimethylcyclopentyl)-N-methylmethanamine
CID 107191377
1-(3-cyclopropyloxyphenyl)-N-methyl-1-(2-methyloxolan-3-yl)methanamine
CID 105051662
1-(3-cyclopropyloxyphenyl)-N-methyl-2-propan-2-yloxyethanamine
CID 105188537
1-(4,4-difluorocyclohexyl)-N-methyl-1-(4-propan-2-ylphenyl)methanamine
CID 105144881
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-cyclobutyl-1-(4-cyclopropyloxyphenyl)-N-methylmethanamine
CID 114519446
1-(3-cyclopropyloxyphenyl)-1-(1-ethylcyclopentyl)-N-methylmethanamine
CID 105051822
1-(4,4-difluorocyclohexyl)-N-methyl-1-thiophen-3-ylmethanamine
CID 105154096
1-(3-ethoxyphenyl)-N-methyl-1-(oxan-4-yl)methanamine
CID 63935050
1-(3-chlorophenyl)-1-(4,4-dimethylcyclohexyl)-N-methylmethanamine
CID 65390440
2-cyclopropyl-1-(3-cyclopropyloxyphenyl)propan-1-amine
CID 105051847

Frequently Asked Questions

What is the IUPAC name of 1-(3-cyclopropyloxyphenyl)-1-(4,4-difluorocyclohexyl)-N-methylmethanamine?
The IUPAC name of 1-(3-cyclopropyloxyphenyl)-1-(4,4-difluorocyclohexyl)-N-methylmethanamine (CID 105188648) is 1-(3-cyclopropyloxyphenyl)-1-(4,4-difluorocyclohexyl)-N-methylmethanamine.
What is the SMILES notation for 1-(3-cyclopropyloxyphenyl)-1-(4,4-difluorocyclohexyl)-N-methylmethanamine?
The canonical SMILES for 1-(3-cyclopropyloxyphenyl)-1-(4,4-difluorocyclohexyl)-N-methylmethanamine is CNC(c1cccc(OC2CC2)c1)C1CCC(F)(F)CC1.
What is the InChIKey of 1-(3-cyclopropyloxyphenyl)-1-(4,4-difluorocyclohexyl)-N-methylmethanamine?
The InChIKey is FFYFPKGWDVOKTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23F2NO/c1-20-16(12-7-9-17(18,19)10-8-12)13-3-2-4-15(11-13)21-14-5-6-14/h2-4,11-12,14,16,20H,5-10H2,1H3.
What are the key properties of 1-(3-cyclopropyloxyphenyl)-1-(4,4-difluorocyclohexyl)-N-methylmethanamine?
1-(3-cyclopropyloxyphenyl)-1-(4,4-difluorocyclohexyl)-N-methylmethanamine has a molecular weight of 295.37 g/mol, XLogP of 4.31, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-cyclopropyloxyphenyl)-1-(4,4-difluorocyclohexyl)-N-methylmethanamine is sourced from PubChem (CID 105188648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).