1-[(2-fluoro-3-methoxyphenyl)methyl]-4-(propylamino)cyclohexan-1-ol

C17H26FNO2 — CID 104795403

IUPAC1-[(2-fluoro-3-methoxyphenyl)methyl]-4-(propylamino)cyclohexan-1-ol
SMILESCCCNC1CCC(O)(Cc2cccc(OC)c2F)CC1
InChIInChI=1S/C17H26FNO2/c1-3-11-19-14-7-9-17(20,10-8-14)12-13-5-4-6-15(21-2)16(13)18/h4-6,14,19-20H,3,7-12H2,1-2H3
InChIKeyAVNAXKOIKLBQBI-UHFFFAOYSA-N
MW295.40 g/mol
LogP3.05
Rot. Bonds6

About 1-[(2-fluoro-3-methoxyphenyl)methyl]-4-(propylamino)cyclohexan-1-ol

1-[(2-fluoro-3-methoxyphenyl)methyl]-4-(propylamino)cyclohexan-1-ol (PubChem CID 104795403) has the molecular formula C17H26FNO2 and a molecular weight of 295.40 g/mol. Its IUPAC name is 1-[(2-fluoro-3-methoxyphenyl)methyl]-4-(propylamino)cyclohexan-1-ol.

Molecular Properties

Compound Name1-[(2-fluoro-3-methoxyphenyl)methyl]-4-(propylamino)cyclohexan-1-ol
PubChem CID104795403
Molecular FormulaC17H26FNO2
Molecular Weight295.40 g/mol
Exact Mass295.19
IUPAC Name1-[(2-fluoro-3-methoxyphenyl)methyl]-4-(propylamino)cyclohexan-1-ol
SMILESCCCNC1CCC(O)(Cc2cccc(OC)c2F)CC1
InChIInChI=1S/C17H26FNO2/c1-3-11-19-14-7-9-17(20,10-8-14)12-13-5-4-6-15(21-2)16(13)18/h4-6,14,19-20H,3,7-12H2,1-2H3
InChIKeyAVNAXKOIKLBQBI-UHFFFAOYSA-N
XLogP3.05
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.40
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-ethyl-1-[(2-fluoro-3-methoxyphenyl)methyl]cyclohexan-1-ol
CID 104792990
4-[(2-fluoro-3-methoxyphenyl)methoxy]-N-propylcyclohexan-1-amine
CID 104791352
4-ethyl-1-[(2-fluoro-3-methoxyphenyl)methyl]cycloheptan-1-ol
CID 104793164
3-ethyl-1-[(2-fluoro-3-methoxyphenyl)methyl]cyclopentan-1-ol
CID 113453697
1-[(2,3-dichlorophenyl)methyl]-4-(propylamino)cyclohexan-1-ol
CID 107310679
3-[(2-fluoro-3-methoxyphenyl)methyl]-2-methyl-N-propylcyclopentan-1-amine
CID 104795136
N-[[3-[(2-fluoro-3-methoxyphenyl)methyl]-2-methyloxolan-3-yl]methyl]propan-1-amine
CID 114534573
N-[(2-fluoro-3-methoxyphenyl)methyl]-3,3-dimethylcyclopentan-1-amine
CID 114545992
1-[(2-fluoro-3-methoxyphenyl)methyl]-2,5-dimethylcyclohexan-1-ol
CID 104793153
2-[(2-fluoro-3-methoxyphenyl)methyl]-N-propylcycloheptan-1-amine
CID 104792663
1-[1-[(2-fluoro-3-methoxyphenyl)methyl]cyclopropyl]-N-methylmethanamine
CID 104794707
1-[[1-(chloromethyl)cyclopropyl]methyl]-2-fluoro-3-methoxybenzene
CID 104795473

Frequently Asked Questions

What is the IUPAC name of 1-[(2-fluoro-3-methoxyphenyl)methyl]-4-(propylamino)cyclohexan-1-ol?
The IUPAC name of 1-[(2-fluoro-3-methoxyphenyl)methyl]-4-(propylamino)cyclohexan-1-ol (CID 104795403) is 1-[(2-fluoro-3-methoxyphenyl)methyl]-4-(propylamino)cyclohexan-1-ol.
What is the SMILES notation for 1-[(2-fluoro-3-methoxyphenyl)methyl]-4-(propylamino)cyclohexan-1-ol?
The canonical SMILES for 1-[(2-fluoro-3-methoxyphenyl)methyl]-4-(propylamino)cyclohexan-1-ol is CCCNC1CCC(O)(Cc2cccc(OC)c2F)CC1.
What is the InChIKey of 1-[(2-fluoro-3-methoxyphenyl)methyl]-4-(propylamino)cyclohexan-1-ol?
The InChIKey is AVNAXKOIKLBQBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26FNO2/c1-3-11-19-14-7-9-17(20,10-8-14)12-13-5-4-6-15(21-2)16(13)18/h4-6,14,19-20H,3,7-12H2,1-2H3.
What are the key properties of 1-[(2-fluoro-3-methoxyphenyl)methyl]-4-(propylamino)cyclohexan-1-ol?
1-[(2-fluoro-3-methoxyphenyl)methyl]-4-(propylamino)cyclohexan-1-ol has a molecular weight of 295.40 g/mol, XLogP of 3.05, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-fluoro-3-methoxyphenyl)methyl]-4-(propylamino)cyclohexan-1-ol is sourced from PubChem (CID 104795403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).