[1-(dimethylamino)cyclohexyl]-(3-fluoro-4-methoxyphenyl)methanol

C16H24FNO2 — CID 79066938

IUPAC[1-(dimethylamino)cyclohexyl]-(3-fluoro-4-methoxyphenyl)methanol
SMILESCOc1ccc(C(O)C2(N(C)C)CCCCC2)cc1F
InChIInChI=1S/C16H24FNO2/c1-18(2)16(9-5-4-6-10-16)15(19)12-7-8-14(20-3)13(17)11-12/h7-8,11,15,19H,4-6,9-10H2,1-3H3
InChIKeyDYQHBRKWJPEDHP-UHFFFAOYSA-N
MW281.37 g/mol
LogP3.13
Rot. Bonds4

About [1-(dimethylamino)cyclohexyl]-(3-fluoro-4-methoxyphenyl)methanol

[1-(dimethylamino)cyclohexyl]-(3-fluoro-4-methoxyphenyl)methanol (PubChem CID 79066938) has the molecular formula C16H24FNO2 and a molecular weight of 281.37 g/mol. Its IUPAC name is [1-(dimethylamino)cyclohexyl]-(3-fluoro-4-methoxyphenyl)methanol.

Molecular Properties

Compound Name[1-(dimethylamino)cyclohexyl]-(3-fluoro-4-methoxyphenyl)methanol
PubChem CID79066938
Molecular FormulaC16H24FNO2
Molecular Weight281.37 g/mol
Exact Mass281.18
IUPAC Name[1-(dimethylamino)cyclohexyl]-(3-fluoro-4-methoxyphenyl)methanol
SMILESCOc1ccc(C(O)C2(N(C)C)CCCCC2)cc1F
InChIInChI=1S/C16H24FNO2/c1-18(2)16(9-5-4-6-10-16)15(19)12-7-8-14(20-3)13(17)11-12/h7-8,11,15,19H,4-6,9-10H2,1-3H3
InChIKeyDYQHBRKWJPEDHP-UHFFFAOYSA-N
XLogP3.13
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.37
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(dimethylamino)cycloheptyl]-(2-methoxy-5-methylphenyl)methanol
CID 79063099
(2,5-dimethoxyphenyl)-[1-(dimethylamino)cyclopentyl]methanol
CID 79067398
1-[amino-(3-fluoro-4-methoxyphenyl)methyl]-N,N-diethylcyclopentan-1-amine
CID 79059390
2-(dimethylamino)-1-(3-fluoro-4-methoxyphenyl)-2-methylpropan-1-ol
CID 79046198
[1-(diethylamino)cyclopentyl]-(3,4-difluorophenyl)methanol
CID 79069796
(3,4-dimethoxyphenyl)-(1-methoxycycloheptyl)methanol
CID 116755791
3-[(3-fluoro-4-methoxyphenyl)-hydroxymethyl]oxane-3-carbonitrile
CID 103715861
(1R)-1-(3-fluoro-4-methoxyphenyl)ethanamine
CID 7047663
(1S)-1-(3-fluoro-4-methoxyphenyl)ethanamine
CID 7016603
1-[1-(3-fluoro-4-methoxyphenyl)-2-methylpropyl]cyclopropan-1-amine
CID 83912257
1-[[1-(3-fluoro-4-methoxyphenyl)ethylamino]methyl]-N,N-dimethylcyclobutan-1-amine
CID 105415550
1-[[1-(3-fluoro-4-methoxyphenyl)ethylamino]methyl]cyclopentan-1-ol
CID 65107365

Frequently Asked Questions

What is the IUPAC name of [1-(dimethylamino)cyclohexyl]-(3-fluoro-4-methoxyphenyl)methanol?
The IUPAC name of [1-(dimethylamino)cyclohexyl]-(3-fluoro-4-methoxyphenyl)methanol (CID 79066938) is [1-(dimethylamino)cyclohexyl]-(3-fluoro-4-methoxyphenyl)methanol.
What is the SMILES notation for [1-(dimethylamino)cyclohexyl]-(3-fluoro-4-methoxyphenyl)methanol?
The canonical SMILES for [1-(dimethylamino)cyclohexyl]-(3-fluoro-4-methoxyphenyl)methanol is COc1ccc(C(O)C2(N(C)C)CCCCC2)cc1F.
What is the InChIKey of [1-(dimethylamino)cyclohexyl]-(3-fluoro-4-methoxyphenyl)methanol?
The InChIKey is DYQHBRKWJPEDHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24FNO2/c1-18(2)16(9-5-4-6-10-16)15(19)12-7-8-14(20-3)13(17)11-12/h7-8,11,15,19H,4-6,9-10H2,1-3H3.
What are the key properties of [1-(dimethylamino)cyclohexyl]-(3-fluoro-4-methoxyphenyl)methanol?
[1-(dimethylamino)cyclohexyl]-(3-fluoro-4-methoxyphenyl)methanol has a molecular weight of 281.37 g/mol, XLogP of 3.13, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(dimethylamino)cyclohexyl]-(3-fluoro-4-methoxyphenyl)methanol is sourced from PubChem (CID 79066938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).