4-amino-1-phenylpentan-3-ol

C11H17NO — CID 14320814

IUPAC4-amino-1-phenylpentan-3-ol
SMILESCC(N)C(O)CCc1ccccc1
InChIInChI=1S/C11H17NO/c1-9(12)11(13)8-7-10-5-3-2-4-6-10/h2-6,9,11,13H,7-8,12H2,1H3
InChIKeyYKQSZNMVLGNVOH-UHFFFAOYSA-N
MW179.26 g/mol
LogP1.33
Rot. Bonds4

About 4-amino-1-phenylpentan-3-ol

4-amino-1-phenylpentan-3-ol (PubChem CID 14320814) has the molecular formula C11H17NO and a molecular weight of 179.26 g/mol. Its IUPAC name is 4-amino-1-phenylpentan-3-ol.

Molecular Properties

Compound Name4-amino-1-phenylpentan-3-ol
PubChem CID14320814
Molecular FormulaC11H17NO
Molecular Weight179.26 g/mol
Exact Mass179.13
IUPAC Name4-amino-1-phenylpentan-3-ol
SMILESCC(N)C(O)CCc1ccccc1
InChIInChI=1S/C11H17NO/c1-9(12)11(13)8-7-10-5-3-2-4-6-10/h2-6,9,11,13H,7-8,12H2,1H3
InChIKeyYKQSZNMVLGNVOH-UHFFFAOYSA-N
XLogP1.33
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
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

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Frequently Asked Questions

What is the IUPAC name of 4-amino-1-phenylpentan-3-ol?
The IUPAC name of 4-amino-1-phenylpentan-3-ol (CID 14320814) is 4-amino-1-phenylpentan-3-ol.
What is the SMILES notation for 4-amino-1-phenylpentan-3-ol?
The canonical SMILES for 4-amino-1-phenylpentan-3-ol is CC(N)C(O)CCc1ccccc1.
What is the InChIKey of 4-amino-1-phenylpentan-3-ol?
The InChIKey is YKQSZNMVLGNVOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO/c1-9(12)11(13)8-7-10-5-3-2-4-6-10/h2-6,9,11,13H,7-8,12H2,1H3.
What are the key properties of 4-amino-1-phenylpentan-3-ol?
4-amino-1-phenylpentan-3-ol has a molecular weight of 179.26 g/mol, XLogP of 1.33, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-phenylpentan-3-ol is sourced from PubChem (CID 14320814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).