[3-(2,4-difluorophenoxy)-1-(propylamino)cyclohexyl]methanol

C16H23F2NO2 — CID 79638624

IUPAC[3-(2,4-difluorophenoxy)-1-(propylamino)cyclohexyl]methanol
SMILESCCCNC1(CO)CCCC(Oc2ccc(F)cc2F)C1
InChIInChI=1S/C16H23F2NO2/c1-2-8-19-16(11-20)7-3-4-13(10-16)21-15-6-5-12(17)9-14(15)18/h5-6,9,13,19-20H,2-4,7-8,10-11H2,1H3
InChIKeySSMVRFGLMRTHAF-UHFFFAOYSA-N
MW299.36 g/mol
LogP3.02
Rot. Bonds6

About [3-(2,4-difluorophenoxy)-1-(propylamino)cyclohexyl]methanol

[3-(2,4-difluorophenoxy)-1-(propylamino)cyclohexyl]methanol (PubChem CID 79638624) has the molecular formula C16H23F2NO2 and a molecular weight of 299.36 g/mol. Its IUPAC name is [3-(2,4-difluorophenoxy)-1-(propylamino)cyclohexyl]methanol.

Molecular Properties

Compound Name[3-(2,4-difluorophenoxy)-1-(propylamino)cyclohexyl]methanol
PubChem CID79638624
Molecular FormulaC16H23F2NO2
Molecular Weight299.36 g/mol
Exact Mass299.17
IUPAC Name[3-(2,4-difluorophenoxy)-1-(propylamino)cyclohexyl]methanol
SMILESCCCNC1(CO)CCCC(Oc2ccc(F)cc2F)C1
InChIInChI=1S/C16H23F2NO2/c1-2-8-19-16(11-20)7-3-4-13(10-16)21-15-6-5-12(17)9-14(15)18/h5-6,9,13,19-20H,2-4,7-8,10-11H2,1H3
InChIKeySSMVRFGLMRTHAF-UHFFFAOYSA-N
XLogP3.02
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.36
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[2-[3-(hydroxymethyl)-3-(propylamino)cyclohexyl]oxyphenyl]methanol
CID 79638491
[3-(2,5-dimethylphenoxy)-1-(propylamino)cyclohexyl]methanol
CID 79638648
[3-(2-fluorophenoxy)-1-(methylamino)cyclohexyl]methanol
CID 79640904
[3-(3-fluoro-4-methylphenoxy)-1-(propylamino)cyclopentyl]methanol
CID 107171546
[3-phenoxy-1-(propylamino)cyclopentyl]methanol
CID 79645048
[3-(2,3-dihydro-1H-inden-5-yloxy)-1-(propylamino)cyclopentyl]methanol
CID 79646252
[3-pentoxy-1-(propylamino)cyclohexyl]methanol
CID 79641151
[1-(propylamino)-3-(3,3,3-trifluoropropoxy)cyclohexyl]methanol
CID 82957034
[1-(propylamino)-3-(4-propylphenoxy)cyclopentyl]methanol
CID 79645486
[3-(3-methylcyclohexyl)oxy-1-(propylamino)cyclohexyl]methanol
CID 79640737
[1-(4-fluoroanilino)-3-methoxycyclohexyl]methanol
CID 106874202
[1-(cyclopropylamino)-3-(3-fluorophenoxy)cyclohexyl]methanol
CID 79640349

Frequently Asked Questions

What is the IUPAC name of [3-(2,4-difluorophenoxy)-1-(propylamino)cyclohexyl]methanol?
The IUPAC name of [3-(2,4-difluorophenoxy)-1-(propylamino)cyclohexyl]methanol (CID 79638624) is [3-(2,4-difluorophenoxy)-1-(propylamino)cyclohexyl]methanol.
What is the SMILES notation for [3-(2,4-difluorophenoxy)-1-(propylamino)cyclohexyl]methanol?
The canonical SMILES for [3-(2,4-difluorophenoxy)-1-(propylamino)cyclohexyl]methanol is CCCNC1(CO)CCCC(Oc2ccc(F)cc2F)C1.
What is the InChIKey of [3-(2,4-difluorophenoxy)-1-(propylamino)cyclohexyl]methanol?
The InChIKey is SSMVRFGLMRTHAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23F2NO2/c1-2-8-19-16(11-20)7-3-4-13(10-16)21-15-6-5-12(17)9-14(15)18/h5-6,9,13,19-20H,2-4,7-8,10-11H2,1H3.
What are the key properties of [3-(2,4-difluorophenoxy)-1-(propylamino)cyclohexyl]methanol?
[3-(2,4-difluorophenoxy)-1-(propylamino)cyclohexyl]methanol has a molecular weight of 299.36 g/mol, XLogP of 3.02, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2,4-difluorophenoxy)-1-(propylamino)cyclohexyl]methanol is sourced from PubChem (CID 79638624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).