3-amino-1-[3-(cyclopentylmethoxy)phenyl]propan-1-ol

C15H23NO2 — CID 25255702

IUPAC3-amino-1-[3-(cyclopentylmethoxy)phenyl]propan-1-ol
SMILESNCCC(O)c1cccc(OCC2CCCC2)c1
InChIInChI=1S/C15H23NO2/c16-9-8-15(17)13-6-3-7-14(10-13)18-11-12-4-1-2-5-12/h3,6-7,10,12,15,17H,1-2,4-5,8-9,11,16H2
InChIKeyWFSOGYOZTJUSSZ-UHFFFAOYSA-N
MW249.35 g/mol
LogP2.64
Rot. Bonds6

About 3-amino-1-[3-(cyclopentylmethoxy)phenyl]propan-1-ol

3-amino-1-[3-(cyclopentylmethoxy)phenyl]propan-1-ol (PubChem CID 25255702) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is 3-amino-1-[3-(cyclopentylmethoxy)phenyl]propan-1-ol.

Molecular Properties

Compound Name3-amino-1-[3-(cyclopentylmethoxy)phenyl]propan-1-ol
PubChem CID25255702
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Name3-amino-1-[3-(cyclopentylmethoxy)phenyl]propan-1-ol
SMILESNCCC(O)c1cccc(OCC2CCCC2)c1
InChIInChI=1S/C15H23NO2/c16-9-8-15(17)13-6-3-7-14(10-13)18-11-12-4-1-2-5-12/h3,6-7,10,12,15,17H,1-2,4-5,8-9,11,16H2
InChIKeyWFSOGYOZTJUSSZ-UHFFFAOYSA-N
XLogP2.64
TPSA55.48 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 ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-amino-1-[3-(cyclopentylmethoxy)phenyl]propan-1-ol?
The IUPAC name of 3-amino-1-[3-(cyclopentylmethoxy)phenyl]propan-1-ol (CID 25255702) is 3-amino-1-[3-(cyclopentylmethoxy)phenyl]propan-1-ol.
What is the SMILES notation for 3-amino-1-[3-(cyclopentylmethoxy)phenyl]propan-1-ol?
The canonical SMILES for 3-amino-1-[3-(cyclopentylmethoxy)phenyl]propan-1-ol is NCCC(O)c1cccc(OCC2CCCC2)c1.
What is the InChIKey of 3-amino-1-[3-(cyclopentylmethoxy)phenyl]propan-1-ol?
The InChIKey is WFSOGYOZTJUSSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c16-9-8-15(17)13-6-3-7-14(10-13)18-11-12-4-1-2-5-12/h3,6-7,10,12,15,17H,1-2,4-5,8-9,11,16H2.
What are the key properties of 3-amino-1-[3-(cyclopentylmethoxy)phenyl]propan-1-ol?
3-amino-1-[3-(cyclopentylmethoxy)phenyl]propan-1-ol has a molecular weight of 249.35 g/mol, XLogP of 2.64, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-[3-(cyclopentylmethoxy)phenyl]propan-1-ol is sourced from PubChem (CID 25255702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).