2-amino-1-phenylpropan-1-ol

C9H13NO — CID 4786

💊View drug profile → phenylpropanolamine
IUPAC2-amino-1-phenylpropan-1-ol
SMILESCC(N)C(O)c1ccccc1
InChIInChI=1S/C9H13NO/c1-7(10)9(11)8-5-3-2-4-6-8/h2-7,9,11H,10H2,1H3
InChIKeyDLNKOYKMWOXYQA-UHFFFAOYSA-N
MW151.21 g/mol
LogP1.07
Rot. Bonds2

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

2-amino-1-phenylpropan-1-ol (PubChem CID 4786) has the molecular formula C9H13NO and a molecular weight of 151.21 g/mol. Its IUPAC name is 2-amino-1-phenylpropan-1-ol.

Molecular Properties

Compound Name2-amino-1-phenylpropan-1-ol
PubChem CID4786
Molecular FormulaC9H13NO
Molecular Weight151.21 g/mol
Exact Mass151.10
IUPAC Name2-amino-1-phenylpropan-1-ol
SMILESCC(N)C(O)c1ccccc1
InChIInChI=1S/C9H13NO/c1-7(10)9(11)8-5-3-2-4-6-8/h2-7,9,11H,10H2,1H3
InChIKeyDLNKOYKMWOXYQA-UHFFFAOYSA-N
XLogP1.07
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.21
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

Pseudoephedrine
CID 7028
Ephedrine
CID 9294
Phenylpropanolamine
CID 10297
Metaraminol
CID 5906
Phenylethanolamine
CID 1000
Ephedrine Hydrochloride
CID 65326
Hydroxyamfetamine
CID 3651
Cathine
CID 441457
Pseudoephedrine Hydrochloride
CID 9581
Phenylpropanolamine Hydrochloride
CID 62943
N-Methylephedrine
CID 4374
DL-Ephedrine
CID 5032

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-phenylpropan-1-ol?
The IUPAC name of 2-amino-1-phenylpropan-1-ol (CID 4786) is 2-amino-1-phenylpropan-1-ol.
What is the SMILES notation for 2-amino-1-phenylpropan-1-ol?
The canonical SMILES for 2-amino-1-phenylpropan-1-ol is CC(N)C(O)c1ccccc1.
What is the InChIKey of 2-amino-1-phenylpropan-1-ol?
The InChIKey is DLNKOYKMWOXYQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO/c1-7(10)9(11)8-5-3-2-4-6-8/h2-7,9,11H,10H2,1H3.
What are the key properties of 2-amino-1-phenylpropan-1-ol?
2-amino-1-phenylpropan-1-ol has a molecular weight of 151.21 g/mol, XLogP of 1.07, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-phenylpropan-1-ol is sourced from PubChem (CID 4786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).