1-[(4-cyclopentyloxyphenyl)methylamino]propan-2-ol

C15H23NO2 — CID 112513393

IUPAC1-[(4-cyclopentyloxyphenyl)methylamino]propan-2-ol
SMILESCC(O)CNCc1ccc(OC2CCCC2)cc1
InChIInChI=1S/C15H23NO2/c1-12(17)10-16-11-13-6-8-15(9-7-13)18-14-4-2-3-5-14/h6-9,12,14,16-17H,2-5,10-11H2,1H3
InChIKeyMLTYVTIMWJEUCB-UHFFFAOYSA-N
MW249.35 g/mol
LogP2.48
Rot. Bonds6

About 1-[(4-cyclopentyloxyphenyl)methylamino]propan-2-ol

1-[(4-cyclopentyloxyphenyl)methylamino]propan-2-ol (PubChem CID 112513393) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is 1-[(4-cyclopentyloxyphenyl)methylamino]propan-2-ol.

Molecular Properties

Compound Name1-[(4-cyclopentyloxyphenyl)methylamino]propan-2-ol
PubChem CID112513393
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Name1-[(4-cyclopentyloxyphenyl)methylamino]propan-2-ol
SMILESCC(O)CNCc1ccc(OC2CCCC2)cc1
InChIInChI=1S/C15H23NO2/c1-12(17)10-16-11-13-6-8-15(9-7-13)18-14-4-2-3-5-14/h6-9,12,14,16-17H,2-5,10-11H2,1H3
InChIKeyMLTYVTIMWJEUCB-UHFFFAOYSA-N
XLogP2.48
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-cyclopentyloxyphenyl)propan-2-ol
CID 80502782
1-(4-cyclobutyloxyphenyl)propan-2-ol
CID 117295049
5-[(3-cyclopentyloxyphenyl)methylamino]-4-methylpentan-2-ol
CID 111448819
4-cyclohexyloxy-N-(2-hydroxypropyl)benzamide
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N-[(4-cyclopentyloxyphenyl)methyl]cyclopentanamine
CID 39360486
N-[(4-cyclopentyloxyphenyl)methyl]cyclopropanamine
CID 39248013
N-[(4-cyclopentyloxyphenyl)methyl]cyclohexanamine
CID 39372881
methyl (E)-2-[(4-cyclopentyloxyphenyl)methyl]-3,4-dimethylpent-2-enoate
CID 159801557
4-(4-cyclohexyloxyphenyl)-N-methylbutan-2-amine
CID 43279731
(2S)-1-[(4-hexoxyphenyl)methylamino]propan-2-ol
CID 46872164
N-[[4-[3-[4-[(hydroxyamino)methyl]phenoxy]cyclohexyl]oxyphenyl]methyl]hydroxylamine
CID 19038365
(2S)-1-[[4-(methoxymethyl)phenyl]methylamino]propan-2-ol
CID 103884134

Frequently Asked Questions

What is the IUPAC name of 1-[(4-cyclopentyloxyphenyl)methylamino]propan-2-ol?
The IUPAC name of 1-[(4-cyclopentyloxyphenyl)methylamino]propan-2-ol (CID 112513393) is 1-[(4-cyclopentyloxyphenyl)methylamino]propan-2-ol.
What is the SMILES notation for 1-[(4-cyclopentyloxyphenyl)methylamino]propan-2-ol?
The canonical SMILES for 1-[(4-cyclopentyloxyphenyl)methylamino]propan-2-ol is CC(O)CNCc1ccc(OC2CCCC2)cc1.
What is the InChIKey of 1-[(4-cyclopentyloxyphenyl)methylamino]propan-2-ol?
The InChIKey is MLTYVTIMWJEUCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c1-12(17)10-16-11-13-6-8-15(9-7-13)18-14-4-2-3-5-14/h6-9,12,14,16-17H,2-5,10-11H2,1H3.
What are the key properties of 1-[(4-cyclopentyloxyphenyl)methylamino]propan-2-ol?
1-[(4-cyclopentyloxyphenyl)methylamino]propan-2-ol has a molecular weight of 249.35 g/mol, XLogP of 2.48, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-cyclopentyloxyphenyl)methylamino]propan-2-ol is sourced from PubChem (CID 112513393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).