[3-(2,5-dimethylphenoxy)-1-(propylamino)cyclohexyl]methanol

C18H29NO2 — CID 79638648

IUPAC[3-(2,5-dimethylphenoxy)-1-(propylamino)cyclohexyl]methanol
SMILESCCCNC1(CO)CCCC(Oc2cc(C)ccc2C)C1
InChIInChI=1S/C18H29NO2/c1-4-10-19-18(13-20)9-5-6-16(12-18)21-17-11-14(2)7-8-15(17)3/h7-8,11,16,19-20H,4-6,9-10,12-13H2,1-3H3
InChIKeyQSHGQTKNPFCWBV-UHFFFAOYSA-N
MW291.44 g/mol
LogP3.36
Rot. Bonds6

About [3-(2,5-dimethylphenoxy)-1-(propylamino)cyclohexyl]methanol

[3-(2,5-dimethylphenoxy)-1-(propylamino)cyclohexyl]methanol (PubChem CID 79638648) has the molecular formula C18H29NO2 and a molecular weight of 291.44 g/mol. Its IUPAC name is [3-(2,5-dimethylphenoxy)-1-(propylamino)cyclohexyl]methanol.

Molecular Properties

Compound Name[3-(2,5-dimethylphenoxy)-1-(propylamino)cyclohexyl]methanol
PubChem CID79638648
Molecular FormulaC18H29NO2
Molecular Weight291.44 g/mol
Exact Mass291.22
IUPAC Name[3-(2,5-dimethylphenoxy)-1-(propylamino)cyclohexyl]methanol
SMILESCCCNC1(CO)CCCC(Oc2cc(C)ccc2C)C1
InChIInChI=1S/C18H29NO2/c1-4-10-19-18(13-20)9-5-6-16(12-18)21-17-11-14(2)7-8-15(17)3/h7-8,11,16,19-20H,4-6,9-10,12-13H2,1-3H3
InChIKeyQSHGQTKNPFCWBV-UHFFFAOYSA-N
XLogP3.36
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[3-(2,4-difluorophenoxy)-1-(propylamino)cyclohexyl]methanol
CID 79638624
[2-[3-(hydroxymethyl)-3-(propylamino)cyclohexyl]oxyphenyl]methanol
CID 79638491
[3-(3-fluoro-4-methylphenoxy)-1-(propylamino)cyclopentyl]methanol
CID 107171546
[3-phenoxy-1-(propylamino)cyclopentyl]methanol
CID 79645048
[3-(3-methylphenyl)sulfanyl-1-(propylamino)cyclohexyl]methanol
CID 79640289
[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-(4-propylphenoxy)cyclopentyl]methanol
CID 79645486
[3-(3-methylcyclohexyl)oxy-1-(propylamino)cyclohexyl]methanol
CID 79640737
[1-(propylamino)-3-(3,3,3-trifluoropropoxy)cyclohexyl]methanol
CID 82957034
1-amino-3-(2,5-dimethylphenoxy)cyclopentane-1-carboxylic acid
CID 79649153
6-(2,5-dimethylphenoxy)-2,2-dimethyl-N-propylcyclohexan-1-amine
CID 79836581

Frequently Asked Questions

What is the IUPAC name of [3-(2,5-dimethylphenoxy)-1-(propylamino)cyclohexyl]methanol?
The IUPAC name of [3-(2,5-dimethylphenoxy)-1-(propylamino)cyclohexyl]methanol (CID 79638648) is [3-(2,5-dimethylphenoxy)-1-(propylamino)cyclohexyl]methanol.
What is the SMILES notation for [3-(2,5-dimethylphenoxy)-1-(propylamino)cyclohexyl]methanol?
The canonical SMILES for [3-(2,5-dimethylphenoxy)-1-(propylamino)cyclohexyl]methanol is CCCNC1(CO)CCCC(Oc2cc(C)ccc2C)C1.
What is the InChIKey of [3-(2,5-dimethylphenoxy)-1-(propylamino)cyclohexyl]methanol?
The InChIKey is QSHGQTKNPFCWBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO2/c1-4-10-19-18(13-20)9-5-6-16(12-18)21-17-11-14(2)7-8-15(17)3/h7-8,11,16,19-20H,4-6,9-10,12-13H2,1-3H3.
What are the key properties of [3-(2,5-dimethylphenoxy)-1-(propylamino)cyclohexyl]methanol?
[3-(2,5-dimethylphenoxy)-1-(propylamino)cyclohexyl]methanol has a molecular weight of 291.44 g/mol, XLogP of 3.36, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2,5-dimethylphenoxy)-1-(propylamino)cyclohexyl]methanol is sourced from PubChem (CID 79638648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).