3-amino-2-phenylpropan-1-ol

C9H13NO — CID 11286566

IUPAC3-amino-2-phenylpropan-1-ol
SMILESNCC(CO)c1ccccc1
InChIInChI=1S/C9H13NO/c10-6-9(7-11)8-4-2-1-3-5-8/h1-5,9,11H,6-7,10H2
InChIKeyDIVZNCUPEGZSEI-UHFFFAOYSA-N
MW151.21 g/mol
LogP0.72
Rot. Bonds3

About 3-amino-2-phenylpropan-1-ol

3-amino-2-phenylpropan-1-ol (PubChem CID 11286566) has the molecular formula C9H13NO and a molecular weight of 151.21 g/mol. Its IUPAC name is 3-amino-2-phenylpropan-1-ol.

Molecular Properties

Compound Name3-amino-2-phenylpropan-1-ol
PubChem CID11286566
Molecular FormulaC9H13NO
Molecular Weight151.21 g/mol
Exact Mass151.10
IUPAC Name3-amino-2-phenylpropan-1-ol
SMILESNCC(CO)c1ccccc1
InChIInChI=1S/C9H13NO/c10-6-9(7-11)8-4-2-1-3-5-8/h1-5,9,11H,6-7,10H2
InChIKeyDIVZNCUPEGZSEI-UHFFFAOYSA-N
XLogP0.72
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.21
LogP ≤ 50.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-amino-2-phenylpropan-1-ol?
The IUPAC name of 3-amino-2-phenylpropan-1-ol (CID 11286566) is 3-amino-2-phenylpropan-1-ol.
What is the SMILES notation for 3-amino-2-phenylpropan-1-ol?
The canonical SMILES for 3-amino-2-phenylpropan-1-ol is NCC(CO)c1ccccc1.
What is the InChIKey of 3-amino-2-phenylpropan-1-ol?
The InChIKey is DIVZNCUPEGZSEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO/c10-6-9(7-11)8-4-2-1-3-5-8/h1-5,9,11H,6-7,10H2.
What are the key properties of 3-amino-2-phenylpropan-1-ol?
3-amino-2-phenylpropan-1-ol has a molecular weight of 151.21 g/mol, XLogP of 0.72, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-phenylpropan-1-ol is sourced from PubChem (CID 11286566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).