1-amino-5-phenylpentan-3-ol

C11H17NO — CID 22677785

IUPAC1-amino-5-phenylpentan-3-ol
SMILESNCCC(O)CCc1ccccc1
InChIInChI=1S/C11H17NO/c12-9-8-11(13)7-6-10-4-2-1-3-5-10/h1-5,11,13H,6-9,12H2
InChIKeyMQRVXBDFCCKLST-UHFFFAOYSA-N
MW179.26 g/mol
LogP1.33
Rot. Bonds5

About 1-amino-5-phenylpentan-3-ol

1-amino-5-phenylpentan-3-ol (PubChem CID 22677785) has the molecular formula C11H17NO and a molecular weight of 179.26 g/mol. Its IUPAC name is 1-amino-5-phenylpentan-3-ol.

Molecular Properties

Compound Name1-amino-5-phenylpentan-3-ol
PubChem CID22677785
Molecular FormulaC11H17NO
Molecular Weight179.26 g/mol
Exact Mass179.13
IUPAC Name1-amino-5-phenylpentan-3-ol
SMILESNCCC(O)CCc1ccccc1
InChIInChI=1S/C11H17NO/c12-9-8-11(13)7-6-10-4-2-1-3-5-10/h1-5,11,13H,6-9,12H2
InChIKeyMQRVXBDFCCKLST-UHFFFAOYSA-N
XLogP1.33
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.26
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-amino-5-phenylpentan-3-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-amino-5-phenylpentan-3-ol?
The IUPAC name of 1-amino-5-phenylpentan-3-ol (CID 22677785) is 1-amino-5-phenylpentan-3-ol.
What is the SMILES notation for 1-amino-5-phenylpentan-3-ol?
The canonical SMILES for 1-amino-5-phenylpentan-3-ol is NCCC(O)CCc1ccccc1.
What is the InChIKey of 1-amino-5-phenylpentan-3-ol?
The InChIKey is MQRVXBDFCCKLST-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO/c12-9-8-11(13)7-6-10-4-2-1-3-5-10/h1-5,11,13H,6-9,12H2.
What are the key properties of 1-amino-5-phenylpentan-3-ol?
1-amino-5-phenylpentan-3-ol has a molecular weight of 179.26 g/mol, XLogP of 1.33, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-5-phenylpentan-3-ol is sourced from PubChem (CID 22677785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).