1-cyclohexyl-3-(2,6-difluorophenyl)-1-methoxy-N-methylpropan-2-amine

C17H25F2NO — CID 114932745

IUPAC1-cyclohexyl-3-(2,6-difluorophenyl)-1-methoxy-N-methylpropan-2-amine
SMILESCNC(Cc1c(F)cccc1F)C(OC)C1CCCCC1
InChIInChI=1S/C17H25F2NO/c1-20-16(11-13-14(18)9-6-10-15(13)19)17(21-2)12-7-4-3-5-8-12/h6,9-10,12,16-17,20H,3-5,7-8,11H2,1-2H3
InChIKeyRPGVIAHLVFNSHZ-UHFFFAOYSA-N
MW297.39 g/mol
LogP3.69
Rot. Bonds6

About 1-cyclohexyl-3-(2,6-difluorophenyl)-1-methoxy-N-methylpropan-2-amine

1-cyclohexyl-3-(2,6-difluorophenyl)-1-methoxy-N-methylpropan-2-amine (PubChem CID 114932745) has the molecular formula C17H25F2NO and a molecular weight of 297.39 g/mol. Its IUPAC name is 1-cyclohexyl-3-(2,6-difluorophenyl)-1-methoxy-N-methylpropan-2-amine.

Molecular Properties

Compound Name1-cyclohexyl-3-(2,6-difluorophenyl)-1-methoxy-N-methylpropan-2-amine
PubChem CID114932745
Molecular FormulaC17H25F2NO
Molecular Weight297.39 g/mol
Exact Mass297.19
IUPAC Name1-cyclohexyl-3-(2,6-difluorophenyl)-1-methoxy-N-methylpropan-2-amine
SMILESCNC(Cc1c(F)cccc1F)C(OC)C1CCCCC1
InChIInChI=1S/C17H25F2NO/c1-20-16(11-13-14(18)9-6-10-15(13)19)17(21-2)12-7-4-3-5-8-12/h6,9-10,12,16-17,20H,3-5,7-8,11H2,1-2H3
InChIKeyRPGVIAHLVFNSHZ-UHFFFAOYSA-N
XLogP3.69
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.39
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-cyclopropyl-3-(2,6-difluorophenyl)-1-methoxy-N-methylpropan-2-amine
CID 114932663
1-cyclohexyl-3-(3,4-difluorophenyl)-1-methoxy-N-methylpropan-2-amine
CID 116771493
1-cycloheptyl-3-(2,6-difluorophenyl)-N-methylpropan-2-amine
CID 114458171
1-cyclohexyl-3-(furan-3-yl)-1-methoxy-N-methylpropan-2-amine
CID 116771472
1-cyclohexyl-3-(2,6-difluorophenyl)-1-ethoxypropan-2-ol
CID 114931734
[1-cyclohexyl-3-(4-fluorophenyl)-1-methoxypropan-2-yl]hydrazine
CID 105278577
1-cyclohexyl-3-(2-ethyl-1,2,4-triazol-3-yl)-1-methoxy-N-methylpropan-2-amine
CID 116771535
2-cyclohexyl-1-(2,3-dimethylphenyl)-2-methoxy-N-methylethanamine
CID 116771448
1,2-dicyclohexyl-2-methoxy-N-methylethanamine
CID 116771418
[3-(3-chloro-4-fluorophenyl)-1-cyclohexyl-1-methoxypropan-2-yl]hydrazine
CID 103044125
[3-(2-chloro-3-fluorophenyl)-1-cyclopropyl-1-methoxypropan-2-yl]hydrazine
CID 105272648
1-cyclopropyl-3-(2,3-dihydro-1H-inden-5-yl)-1-methoxy-N-methylpropan-2-amine
CID 116722108

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-(2,6-difluorophenyl)-1-methoxy-N-methylpropan-2-amine?
The IUPAC name of 1-cyclohexyl-3-(2,6-difluorophenyl)-1-methoxy-N-methylpropan-2-amine (CID 114932745) is 1-cyclohexyl-3-(2,6-difluorophenyl)-1-methoxy-N-methylpropan-2-amine.
What is the SMILES notation for 1-cyclohexyl-3-(2,6-difluorophenyl)-1-methoxy-N-methylpropan-2-amine?
The canonical SMILES for 1-cyclohexyl-3-(2,6-difluorophenyl)-1-methoxy-N-methylpropan-2-amine is CNC(Cc1c(F)cccc1F)C(OC)C1CCCCC1.
What is the InChIKey of 1-cyclohexyl-3-(2,6-difluorophenyl)-1-methoxy-N-methylpropan-2-amine?
The InChIKey is RPGVIAHLVFNSHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25F2NO/c1-20-16(11-13-14(18)9-6-10-15(13)19)17(21-2)12-7-4-3-5-8-12/h6,9-10,12,16-17,20H,3-5,7-8,11H2,1-2H3.
What are the key properties of 1-cyclohexyl-3-(2,6-difluorophenyl)-1-methoxy-N-methylpropan-2-amine?
1-cyclohexyl-3-(2,6-difluorophenyl)-1-methoxy-N-methylpropan-2-amine has a molecular weight of 297.39 g/mol, XLogP of 3.69, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-(2,6-difluorophenyl)-1-methoxy-N-methylpropan-2-amine is sourced from PubChem (CID 114932745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).