1-cyclopentyl-3-[4-[1-(ethylamino)ethyl]phenoxy]propan-2-ol

C18H29NO2 — CID 103156424

IUPAC1-cyclopentyl-3-[4-[1-(ethylamino)ethyl]phenoxy]propan-2-ol
SMILESCCNC(C)c1ccc(OCC(O)CC2CCCC2)cc1
InChIInChI=1S/C18H29NO2/c1-3-19-14(2)16-8-10-18(11-9-16)21-13-17(20)12-15-6-4-5-7-15/h8-11,14-15,17,19-20H,3-7,12-13H2,1-2H3
InChIKeyGAEMWRIFHPMSPO-UHFFFAOYSA-N
MW291.44 g/mol
LogP3.68
Rot. Bonds8

About 1-cyclopentyl-3-[4-[1-(ethylamino)ethyl]phenoxy]propan-2-ol

1-cyclopentyl-3-[4-[1-(ethylamino)ethyl]phenoxy]propan-2-ol (PubChem CID 103156424) has the molecular formula C18H29NO2 and a molecular weight of 291.44 g/mol. Its IUPAC name is 1-cyclopentyl-3-[4-[1-(ethylamino)ethyl]phenoxy]propan-2-ol.

Molecular Properties

Compound Name1-cyclopentyl-3-[4-[1-(ethylamino)ethyl]phenoxy]propan-2-ol
PubChem CID103156424
Molecular FormulaC18H29NO2
Molecular Weight291.44 g/mol
Exact Mass291.22
IUPAC Name1-cyclopentyl-3-[4-[1-(ethylamino)ethyl]phenoxy]propan-2-ol
SMILESCCNC(C)c1ccc(OCC(O)CC2CCCC2)cc1
InChIInChI=1S/C18H29NO2/c1-3-19-14(2)16-8-10-18(11-9-16)21-13-17(20)12-15-6-4-5-7-15/h8-11,14-15,17,19-20H,3-7,12-13H2,1-2H3
InChIKeyGAEMWRIFHPMSPO-UHFFFAOYSA-N
XLogP3.68
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 ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclopentyl-3-[4-(1-hydroxyethyl)phenoxy]propan-2-ol
CID 103158944
1-cyclopentyl-3-(4-ethylphenoxy)propan-2-ol
CID 103160577
N-(cyclopentylmethyl)-1-[4-(2-methylpropoxy)phenyl]ethanamine
CID 43370779
methyl 4-(3-cyclopentyl-2-hydroxypropoxy)benzoate
CID 103156169
1-cyclopentyl-3-[4-(2-methylbutan-2-yl)phenoxy]propan-2-ol
CID 103160587
N-(2-cyclopentylethyl)-1-[4-(2-methylpropoxy)phenyl]ethanamine
CID 63450652
(1S)-1-(4-cyclopentyloxyphenyl)-N-ethylethanamine
CID 93007263
1-[4-(2,2-difluoroethoxy)phenyl]-N-ethylethanamine
CID 60921749
3-[4-[1-(ethylamino)ethyl]phenoxy]-1,1,1-trifluoropropan-2-ol
CID 63899798
N-(cyclohexylmethyl)-1-[4-(2-ethoxyethoxy)phenyl]ethanamine
CID 54804421
1-(4-chlorophenoxy)-3-cyclobutylpropan-2-ol
CID 105100781
1-cyclopentyl-3-[1-(4-methylphenoxy)propan-2-ylamino]propan-2-ol
CID 103157412

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-3-[4-[1-(ethylamino)ethyl]phenoxy]propan-2-ol?
The IUPAC name of 1-cyclopentyl-3-[4-[1-(ethylamino)ethyl]phenoxy]propan-2-ol (CID 103156424) is 1-cyclopentyl-3-[4-[1-(ethylamino)ethyl]phenoxy]propan-2-ol.
What is the SMILES notation for 1-cyclopentyl-3-[4-[1-(ethylamino)ethyl]phenoxy]propan-2-ol?
The canonical SMILES for 1-cyclopentyl-3-[4-[1-(ethylamino)ethyl]phenoxy]propan-2-ol is CCNC(C)c1ccc(OCC(O)CC2CCCC2)cc1.
What is the InChIKey of 1-cyclopentyl-3-[4-[1-(ethylamino)ethyl]phenoxy]propan-2-ol?
The InChIKey is GAEMWRIFHPMSPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO2/c1-3-19-14(2)16-8-10-18(11-9-16)21-13-17(20)12-15-6-4-5-7-15/h8-11,14-15,17,19-20H,3-7,12-13H2,1-2H3.
What are the key properties of 1-cyclopentyl-3-[4-[1-(ethylamino)ethyl]phenoxy]propan-2-ol?
1-cyclopentyl-3-[4-[1-(ethylamino)ethyl]phenoxy]propan-2-ol has a molecular weight of 291.44 g/mol, XLogP of 3.68, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-3-[4-[1-(ethylamino)ethyl]phenoxy]propan-2-ol is sourced from PubChem (CID 103156424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).