(3,5-difluorophenyl)-[1-(dimethylamino)-3-methylcyclohexyl]methanol

C16H23F2NO — CID 79075052

IUPAC(3,5-difluorophenyl)-[1-(dimethylamino)-3-methylcyclohexyl]methanol
SMILESCC1CCCC(C(O)c2cc(F)cc(F)c2)(N(C)C)C1
InChIInChI=1S/C16H23F2NO/c1-11-5-4-6-16(10-11,19(2)3)15(20)12-7-13(17)9-14(18)8-12/h7-9,11,15,20H,4-6,10H2,1-3H3
InChIKeyGFRBSJNBRSOEPD-UHFFFAOYSA-N
MW283.36 g/mol
LogP3.51
Rot. Bonds3

About (3,5-difluorophenyl)-[1-(dimethylamino)-3-methylcyclohexyl]methanol

(3,5-difluorophenyl)-[1-(dimethylamino)-3-methylcyclohexyl]methanol (PubChem CID 79075052) has the molecular formula C16H23F2NO and a molecular weight of 283.36 g/mol. Its IUPAC name is (3,5-difluorophenyl)-[1-(dimethylamino)-3-methylcyclohexyl]methanol.

Molecular Properties

Compound Name(3,5-difluorophenyl)-[1-(dimethylamino)-3-methylcyclohexyl]methanol
PubChem CID79075052
Molecular FormulaC16H23F2NO
Molecular Weight283.36 g/mol
Exact Mass283.17
IUPAC Name(3,5-difluorophenyl)-[1-(dimethylamino)-3-methylcyclohexyl]methanol
SMILESCC1CCCC(C(O)c2cc(F)cc(F)c2)(N(C)C)C1
InChIInChI=1S/C16H23F2NO/c1-11-5-4-6-16(10-11,19(2)3)15(20)12-7-13(17)9-14(18)8-12/h7-9,11,15,20H,4-6,10H2,1-3H3
InChIKeyGFRBSJNBRSOEPD-UHFFFAOYSA-N
XLogP3.51
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.36
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[1-(dimethylamino)-3-methylcyclohexyl]-(3-methylphenyl)methanol
CID 79074534
[1-(dimethylamino)-3-methylcyclohexyl]-(2-fluoro-4,6-dimethylphenyl)methanol
CID 106881112
(4-chloro-3-methoxyphenyl)-[1-(dimethylamino)-3-methylcyclohexyl]methanol
CID 79697137
[1-(dimethylamino)-3-methylcyclohexyl]-pyrazin-2-ylmethanol
CID 79075127
1-[amino-(4-fluoro-2-methylphenyl)methyl]-N,N,3-trimethylcyclohexan-1-amine
CID 79074616
cyclohexyl-[1-(dimethylamino)-3-methylcyclohexyl]methanol
CID 79074385
1-[(3,4-difluorophenyl)-hydrazinylmethyl]-N,N,3-trimethylcyclohexan-1-amine
CID 105243646
1-[amino-(3,5-difluorophenyl)methyl]-N,N-dimethylcyclopentan-1-amine
CID 79070361
1-[1-amino-2-(3-fluorophenyl)ethyl]-N,N,3-trimethylcyclohexan-1-amine
CID 79074692
2-(2-bromophenyl)-1-[1-(dimethylamino)-3-methylcyclohexyl]ethanol
CID 79074463
[1-(dimethylamino)-3-methylcyclohexyl]-(3-fluoro-5-methylphenyl)methanone
CID 79704310
1-[amino(cyclopentyl)methyl]-N,N,3-trimethylcyclohexan-1-amine
CID 79074613

Frequently Asked Questions

What is the IUPAC name of (3,5-difluorophenyl)-[1-(dimethylamino)-3-methylcyclohexyl]methanol?
The IUPAC name of (3,5-difluorophenyl)-[1-(dimethylamino)-3-methylcyclohexyl]methanol (CID 79075052) is (3,5-difluorophenyl)-[1-(dimethylamino)-3-methylcyclohexyl]methanol.
What is the SMILES notation for (3,5-difluorophenyl)-[1-(dimethylamino)-3-methylcyclohexyl]methanol?
The canonical SMILES for (3,5-difluorophenyl)-[1-(dimethylamino)-3-methylcyclohexyl]methanol is CC1CCCC(C(O)c2cc(F)cc(F)c2)(N(C)C)C1.
What is the InChIKey of (3,5-difluorophenyl)-[1-(dimethylamino)-3-methylcyclohexyl]methanol?
The InChIKey is GFRBSJNBRSOEPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23F2NO/c1-11-5-4-6-16(10-11,19(2)3)15(20)12-7-13(17)9-14(18)8-12/h7-9,11,15,20H,4-6,10H2,1-3H3.
What are the key properties of (3,5-difluorophenyl)-[1-(dimethylamino)-3-methylcyclohexyl]methanol?
(3,5-difluorophenyl)-[1-(dimethylamino)-3-methylcyclohexyl]methanol has a molecular weight of 283.36 g/mol, XLogP of 3.51, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-difluorophenyl)-[1-(dimethylamino)-3-methylcyclohexyl]methanol is sourced from PubChem (CID 79075052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).