1-cyclohexyl-3-(3,4-difluorophenyl)-1-methoxy-N-methylpropan-2-amine

C17H25F2NO — CID 116771493

IUPAC1-cyclohexyl-3-(3,4-difluorophenyl)-1-methoxy-N-methylpropan-2-amine
SMILESCNC(Cc1ccc(F)c(F)c1)C(OC)C1CCCCC1
InChIInChI=1S/C17H25F2NO/c1-20-16(11-12-8-9-14(18)15(19)10-12)17(21-2)13-6-4-3-5-7-13/h8-10,13,16-17,20H,3-7,11H2,1-2H3
InChIKeyRSUPQIAAUJNLLR-UHFFFAOYSA-N
MW297.39 g/mol
LogP3.69
Rot. Bonds6

About 1-cyclohexyl-3-(3,4-difluorophenyl)-1-methoxy-N-methylpropan-2-amine

1-cyclohexyl-3-(3,4-difluorophenyl)-1-methoxy-N-methylpropan-2-amine (PubChem CID 116771493) has the molecular formula C17H25F2NO and a molecular weight of 297.39 g/mol. Its IUPAC name is 1-cyclohexyl-3-(3,4-difluorophenyl)-1-methoxy-N-methylpropan-2-amine.

Molecular Properties

Compound Name1-cyclohexyl-3-(3,4-difluorophenyl)-1-methoxy-N-methylpropan-2-amine
PubChem CID116771493
Molecular FormulaC17H25F2NO
Molecular Weight297.39 g/mol
Exact Mass297.19
IUPAC Name1-cyclohexyl-3-(3,4-difluorophenyl)-1-methoxy-N-methylpropan-2-amine
SMILESCNC(Cc1ccc(F)c(F)c1)C(OC)C1CCCCC1
InChIInChI=1S/C17H25F2NO/c1-20-16(11-12-8-9-14(18)15(19)10-12)17(21-2)13-6-4-3-5-7-13/h8-10,13,16-17,20H,3-7,11H2,1-2H3
InChIKeyRSUPQIAAUJNLLR-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-cyclohexyl-3-(2,6-difluorophenyl)-1-methoxy-N-methylpropan-2-amine
CID 114932745
1-cyclopropyl-3-(3,4-difluorophenyl)-1-methoxy-N-propylpropan-2-amine
CID 116722711
[3-(3-chloro-4-fluorophenyl)-1-cyclohexyl-1-methoxypropan-2-yl]hydrazine
CID 103044125
1-cyclopropyl-3-(2,3-dihydro-1H-inden-5-yl)-1-methoxy-N-methylpropan-2-amine
CID 116722108
1-cyclohexyl-3-(furan-3-yl)-1-methoxy-N-methylpropan-2-amine
CID 116771472
[1-cyclohexyl-3-(4-fluorophenyl)-1-methoxypropan-2-yl]hydrazine
CID 105278577
3-(3-bromo-4-methoxyphenyl)-1-cyclopropyl-1-methoxy-N-methylpropan-2-amine
CID 116722235
1-cyclopropyl-3-(2,6-difluorophenyl)-1-methoxy-N-methylpropan-2-amine
CID 114932663
3-(4-chloro-3-fluorophenyl)-1-cyclohexyl-1-methoxypropan-2-ol
CID 107884380
3-(3-bromo-4-fluorophenyl)-1-cyclopropyl-N-ethyl-1-methoxypropan-2-amine
CID 116722487
(1S)-1-cycloheptyl-N-[(3,4-difluorophenyl)methyl]ethanamine
CID 81390721
[1-cyclohexyl-2-(3,4-difluorophenyl)ethyl]hydrazine
CID 105201895

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-(3,4-difluorophenyl)-1-methoxy-N-methylpropan-2-amine?
The IUPAC name of 1-cyclohexyl-3-(3,4-difluorophenyl)-1-methoxy-N-methylpropan-2-amine (CID 116771493) is 1-cyclohexyl-3-(3,4-difluorophenyl)-1-methoxy-N-methylpropan-2-amine.
What is the SMILES notation for 1-cyclohexyl-3-(3,4-difluorophenyl)-1-methoxy-N-methylpropan-2-amine?
The canonical SMILES for 1-cyclohexyl-3-(3,4-difluorophenyl)-1-methoxy-N-methylpropan-2-amine is CNC(Cc1ccc(F)c(F)c1)C(OC)C1CCCCC1.
What is the InChIKey of 1-cyclohexyl-3-(3,4-difluorophenyl)-1-methoxy-N-methylpropan-2-amine?
The InChIKey is RSUPQIAAUJNLLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25F2NO/c1-20-16(11-12-8-9-14(18)15(19)10-12)17(21-2)13-6-4-3-5-7-13/h8-10,13,16-17,20H,3-7,11H2,1-2H3.
What are the key properties of 1-cyclohexyl-3-(3,4-difluorophenyl)-1-methoxy-N-methylpropan-2-amine?
1-cyclohexyl-3-(3,4-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-(3,4-difluorophenyl)-1-methoxy-N-methylpropan-2-amine is sourced from PubChem (CID 116771493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).