3-amino-1-cyclopentyl-2-(2-methoxyphenyl)propan-1-ol

C15H23NO2 — CID 65190124

IUPAC3-amino-1-cyclopentyl-2-(2-methoxyphenyl)propan-1-ol
SMILESCOc1ccccc1C(CN)C(O)C1CCCC1
InChIInChI=1S/C15H23NO2/c1-18-14-9-5-4-8-12(14)13(10-16)15(17)11-6-2-3-7-11/h4-5,8-9,11,13,15,17H,2-3,6-7,10,16H2,1H3
InChIKeyFYAHHWDSDXQJHP-UHFFFAOYSA-N
MW249.35 g/mol
LogP2.29
Rot. Bonds5

About 3-amino-1-cyclopentyl-2-(2-methoxyphenyl)propan-1-ol

3-amino-1-cyclopentyl-2-(2-methoxyphenyl)propan-1-ol (PubChem CID 65190124) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is 3-amino-1-cyclopentyl-2-(2-methoxyphenyl)propan-1-ol.

Molecular Properties

Compound Name3-amino-1-cyclopentyl-2-(2-methoxyphenyl)propan-1-ol
PubChem CID65190124
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Name3-amino-1-cyclopentyl-2-(2-methoxyphenyl)propan-1-ol
SMILESCOc1ccccc1C(CN)C(O)C1CCCC1
InChIInChI=1S/C15H23NO2/c1-18-14-9-5-4-8-12(14)13(10-16)15(17)11-6-2-3-7-11/h4-5,8-9,11,13,15,17H,2-3,6-7,10,16H2,1H3
InChIKeyFYAHHWDSDXQJHP-UHFFFAOYSA-N
XLogP2.29
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 65185180
(1R,2R)-3-amino-1-cyclohexyl-2-naphthalen-1-ylpropan-1-ol
CID 69271499
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CID 70442414
(1R,2S)-2-amino-1-cyclopentyl-2-(2,3-dimethoxyphenyl)ethanol
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3-amino-1-cyclopentyl-2-(4-methoxyphenyl)propan-1-ol
CID 65185701
3-amino-1-cycloheptyl-2-(4-methoxyphenyl)propan-1-ol
CID 65185399
(1R,2S)-2-amino-1-cyclohexyl-2-(2-fluoro-3-methoxyphenyl)ethanol
CID 171268315
(R)-cyclopentyl-(2-methoxyphenyl)methanamine;hydrochloride
CID 171200457
1-cyclopropyl-2-(2-methoxyphenyl)ethane-1,2-diol
CID 103456830
3-amino-1-cyclohexyl-2-(4-methoxyphenyl)propan-1-ol;hydrochloride
CID 75106370
3-amino-2-(2-methoxy-5-methylphenyl)-1-(oxan-4-yl)propan-1-ol
CID 65185434

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-cyclopentyl-2-(2-methoxyphenyl)propan-1-ol?
The IUPAC name of 3-amino-1-cyclopentyl-2-(2-methoxyphenyl)propan-1-ol (CID 65190124) is 3-amino-1-cyclopentyl-2-(2-methoxyphenyl)propan-1-ol.
What is the SMILES notation for 3-amino-1-cyclopentyl-2-(2-methoxyphenyl)propan-1-ol?
The canonical SMILES for 3-amino-1-cyclopentyl-2-(2-methoxyphenyl)propan-1-ol is COc1ccccc1C(CN)C(O)C1CCCC1.
What is the InChIKey of 3-amino-1-cyclopentyl-2-(2-methoxyphenyl)propan-1-ol?
The InChIKey is FYAHHWDSDXQJHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c1-18-14-9-5-4-8-12(14)13(10-16)15(17)11-6-2-3-7-11/h4-5,8-9,11,13,15,17H,2-3,6-7,10,16H2,1H3.
What are the key properties of 3-amino-1-cyclopentyl-2-(2-methoxyphenyl)propan-1-ol?
3-amino-1-cyclopentyl-2-(2-methoxyphenyl)propan-1-ol has a molecular weight of 249.35 g/mol, XLogP of 2.29, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-cyclopentyl-2-(2-methoxyphenyl)propan-1-ol is sourced from PubChem (CID 65190124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).