[1-(cyclopropylamino)-3-(3-fluorophenoxy)cyclohexyl]methanol

C16H22FNO2 — CID 79640349

IUPAC[1-(cyclopropylamino)-3-(3-fluorophenoxy)cyclohexyl]methanol
SMILESOCC1(NC2CC2)CCCC(Oc2cccc(F)c2)C1
InChIInChI=1S/C16H22FNO2/c17-12-3-1-4-14(9-12)20-15-5-2-8-16(10-15,11-19)18-13-6-7-13/h1,3-4,9,13,15,18-19H,2,5-8,10-11H2
InChIKeyJQPVDZJWMYLBEH-UHFFFAOYSA-N
MW279.35 g/mol
LogP2.63
Rot. Bonds5

About [1-(cyclopropylamino)-3-(3-fluorophenoxy)cyclohexyl]methanol

[1-(cyclopropylamino)-3-(3-fluorophenoxy)cyclohexyl]methanol (PubChem CID 79640349) has the molecular formula C16H22FNO2 and a molecular weight of 279.35 g/mol. Its IUPAC name is [1-(cyclopropylamino)-3-(3-fluorophenoxy)cyclohexyl]methanol.

Molecular Properties

Compound Name[1-(cyclopropylamino)-3-(3-fluorophenoxy)cyclohexyl]methanol
PubChem CID79640349
Molecular FormulaC16H22FNO2
Molecular Weight279.35 g/mol
Exact Mass279.16
IUPAC Name[1-(cyclopropylamino)-3-(3-fluorophenoxy)cyclohexyl]methanol
SMILESOCC1(NC2CC2)CCCC(Oc2cccc(F)c2)C1
InChIInChI=1S/C16H22FNO2/c17-12-3-1-4-14(9-12)20-15-5-2-8-16(10-15,11-19)18-13-6-7-13/h1,3-4,9,13,15,18-19H,2,5-8,10-11H2
InChIKeyJQPVDZJWMYLBEH-UHFFFAOYSA-N
XLogP2.63
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.35
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(cyclopropylamino)-3-(3-fluorophenoxy)cyclohexane-1-carboxylic acid
CID 79635234
[1-(cyclopropylamino)-3-phenoxycyclopentyl]methanol
CID 79645287
1-amino-3-(3-fluorophenoxy)cyclohexane-1-carboxylic acid
CID 79637262
[1-(cyclopropylamino)-3-(2,3-difluorophenoxy)cyclopentyl]methanol
CID 79645266
methyl 1-(cyclopropylamino)-3-(3-fluorophenoxy)cyclopentane-1-carboxylate
CID 79647932
[1-(methylamino)-3-(3-methylphenoxy)cyclopentyl]methanol
CID 79645520
[1-(ethylamino)-3-(3-methylphenoxy)cyclopentyl]methanol
CID 79645788
3-(3-fluorophenoxy)-1-(methylamino)cyclohexane-1-carboxamide
CID 79637419
[3-(3,5-difluorophenoxy)-1-(methylamino)cyclopentyl]methanol
CID 79647984
[3-[3-(hydroxymethyl)-3-(methylamino)cyclopentyl]oxyphenyl]methanol
CID 79646018
[3-phenoxy-1-(propan-2-ylamino)cyclopentyl]methanol
CID 79645524
[1-(cyclopropylamino)-3-(4-fluorophenyl)sulfanylcyclohexyl]methanol
CID 79640361

Frequently Asked Questions

What is the IUPAC name of [1-(cyclopropylamino)-3-(3-fluorophenoxy)cyclohexyl]methanol?
The IUPAC name of [1-(cyclopropylamino)-3-(3-fluorophenoxy)cyclohexyl]methanol (CID 79640349) is [1-(cyclopropylamino)-3-(3-fluorophenoxy)cyclohexyl]methanol.
What is the SMILES notation for [1-(cyclopropylamino)-3-(3-fluorophenoxy)cyclohexyl]methanol?
The canonical SMILES for [1-(cyclopropylamino)-3-(3-fluorophenoxy)cyclohexyl]methanol is OCC1(NC2CC2)CCCC(Oc2cccc(F)c2)C1.
What is the InChIKey of [1-(cyclopropylamino)-3-(3-fluorophenoxy)cyclohexyl]methanol?
The InChIKey is JQPVDZJWMYLBEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22FNO2/c17-12-3-1-4-14(9-12)20-15-5-2-8-16(10-15,11-19)18-13-6-7-13/h1,3-4,9,13,15,18-19H,2,5-8,10-11H2.
What are the key properties of [1-(cyclopropylamino)-3-(3-fluorophenoxy)cyclohexyl]methanol?
[1-(cyclopropylamino)-3-(3-fluorophenoxy)cyclohexyl]methanol has a molecular weight of 279.35 g/mol, XLogP of 2.63, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(cyclopropylamino)-3-(3-fluorophenoxy)cyclohexyl]methanol is sourced from PubChem (CID 79640349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).