[1-(propylamino)-3-(4-propylphenoxy)cyclopentyl]methanol

C18H29NO2 — CID 79645486

IUPAC[1-(propylamino)-3-(4-propylphenoxy)cyclopentyl]methanol
SMILESCCCNC1(CO)CCC(Oc2ccc(CCC)cc2)C1
InChIInChI=1S/C18H29NO2/c1-3-5-15-6-8-16(9-7-15)21-17-10-11-18(13-17,14-20)19-12-4-2/h6-9,17,19-20H,3-5,10-14H2,1-2H3
InChIKeyZNXZUMKOCVIIJR-UHFFFAOYSA-N
MW291.44 g/mol
LogP3.30
Rot. Bonds8

About [1-(propylamino)-3-(4-propylphenoxy)cyclopentyl]methanol

[1-(propylamino)-3-(4-propylphenoxy)cyclopentyl]methanol (PubChem CID 79645486) has the molecular formula C18H29NO2 and a molecular weight of 291.44 g/mol. Its IUPAC name is [1-(propylamino)-3-(4-propylphenoxy)cyclopentyl]methanol.

Molecular Properties

Compound Name[1-(propylamino)-3-(4-propylphenoxy)cyclopentyl]methanol
PubChem CID79645486
Molecular FormulaC18H29NO2
Molecular Weight291.44 g/mol
Exact Mass291.22
IUPAC Name[1-(propylamino)-3-(4-propylphenoxy)cyclopentyl]methanol
SMILESCCCNC1(CO)CCC(Oc2ccc(CCC)cc2)C1
InChIInChI=1S/C18H29NO2/c1-3-5-15-6-8-16(9-7-15)21-17-10-11-18(13-17,14-20)19-12-4-2/h6-9,17,19-20H,3-5,10-14H2,1-2H3
InChIKeyZNXZUMKOCVIIJR-UHFFFAOYSA-N
XLogP3.30
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[3-phenoxy-1-(propylamino)cyclopentyl]methanol
CID 79645048
[3-(3-fluoro-4-methylphenoxy)-1-(propylamino)cyclopentyl]methanol
CID 107171546
[3-(2,3-dihydro-1H-inden-5-yloxy)-1-(propylamino)cyclopentyl]methanol
CID 79646252
2-[4-[3-(hydroxymethyl)-3-(propan-2-ylamino)cyclopentyl]oxyphenyl]ethanol
CID 107710114
[3-(2-phenoxyethoxy)-1-(propylamino)cyclopentyl]methanol
CID 79646008
[3-(4-tert-butylphenoxy)-1-(methylamino)cyclopentyl]methanol
CID 79648009
[1-(ethylamino)-3-(3-methylphenoxy)cyclopentyl]methanol
CID 79645788
1-cyclobutyloxy-4-propylbenzene
CID 178141621
[2-[3-(hydroxymethyl)-3-(propylamino)cyclohexyl]oxyphenyl]methanol
CID 79638491
[3-(2,5-dimethylphenoxy)-1-(propylamino)cyclohexyl]methanol
CID 79638648
[1-(ethylamino)-3-(3-propan-2-ylphenoxy)cyclopentyl]methanol
CID 79645784
[1-(cyclopropylamino)-3-phenoxycyclopentyl]methanol
CID 79645287

Frequently Asked Questions

What is the IUPAC name of [1-(propylamino)-3-(4-propylphenoxy)cyclopentyl]methanol?
The IUPAC name of [1-(propylamino)-3-(4-propylphenoxy)cyclopentyl]methanol (CID 79645486) is [1-(propylamino)-3-(4-propylphenoxy)cyclopentyl]methanol.
What is the SMILES notation for [1-(propylamino)-3-(4-propylphenoxy)cyclopentyl]methanol?
The canonical SMILES for [1-(propylamino)-3-(4-propylphenoxy)cyclopentyl]methanol is CCCNC1(CO)CCC(Oc2ccc(CCC)cc2)C1.
What is the InChIKey of [1-(propylamino)-3-(4-propylphenoxy)cyclopentyl]methanol?
The InChIKey is ZNXZUMKOCVIIJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO2/c1-3-5-15-6-8-16(9-7-15)21-17-10-11-18(13-17,14-20)19-12-4-2/h6-9,17,19-20H,3-5,10-14H2,1-2H3.
What are the key properties of [1-(propylamino)-3-(4-propylphenoxy)cyclopentyl]methanol?
[1-(propylamino)-3-(4-propylphenoxy)cyclopentyl]methanol has a molecular weight of 291.44 g/mol, XLogP of 3.30, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(propylamino)-3-(4-propylphenoxy)cyclopentyl]methanol is sourced from PubChem (CID 79645486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).