(1S)-1-amino-2-phenylpropan-1-ol

C9H13NO — CID 130442875

IUPAC(1S)-1-amino-2-phenylpropan-1-ol
SMILESCC(c1ccccc1)[C@@H](N)O
InChIInChI=1S/C9H13NO/c1-7(9(10)11)8-5-3-2-4-6-8/h2-7,9,11H,10H2,1H3/t7?,9-/m0/s1
InChIKeySIJOKGQYWLXCII-NETXQHHPSA-N
MW151.21 g/mol
LogP1.07
Rot. Bonds2

About (1S)-1-amino-2-phenylpropan-1-ol

(1S)-1-amino-2-phenylpropan-1-ol (PubChem CID 130442875) has the molecular formula C9H13NO and a molecular weight of 151.21 g/mol. Its IUPAC name is (1S)-1-amino-2-phenylpropan-1-ol.

Molecular Properties

Compound Name(1S)-1-amino-2-phenylpropan-1-ol
PubChem CID130442875
Molecular FormulaC9H13NO
Molecular Weight151.21 g/mol
Exact Mass151.10
IUPAC Name(1S)-1-amino-2-phenylpropan-1-ol
SMILESCC(c1ccccc1)[C@@H](N)O
InChIInChI=1S/C9H13NO/c1-7(9(10)11)8-5-3-2-4-6-8/h2-7,9,11H,10H2,1H3/t7?,9-/m0/s1
InChIKeySIJOKGQYWLXCII-NETXQHHPSA-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

ethane;[(2S)-3-phenylbutan-2-yl]benzene
CID 143602107
(1S,2R)-2-amino-1-phenylpropan-1-ol
CID 26934
(1S)-1-phenylethanol
CID 157125626
acetic acid;2-phenylpropane-1,1-diol
CID 57375719
(1S,2R)-1-(methylamino)-2-phenylpropan-1-ol
CID 173329938
methane;[(2S)-3-methylbutan-2-yl]benzene;[(2R)-3-methylbutan-2-yl]benzene
CID 162029093
1,1-diphenylpropan-2-ylbenzene
CID 3664636
azane;(1R)-1-phenylethanol
CID 126646564
ethane;(1R)-1-phenylethanamine
CID 142977390
methyl 2-hydroxy-3-phenylbutanoate
CID 14023743
4-(1-amino-2-phenylpropyl)phenol;hydrochloride
CID 67712087
(2R,3S)-2-amino-3-phenylbutanethioic S-acid;hydrate;hydrochloride
CID 121216127

Frequently Asked Questions

What is the IUPAC name of (1S)-1-amino-2-phenylpropan-1-ol?
The IUPAC name of (1S)-1-amino-2-phenylpropan-1-ol (CID 130442875) is (1S)-1-amino-2-phenylpropan-1-ol.
What is the SMILES notation for (1S)-1-amino-2-phenylpropan-1-ol?
The canonical SMILES for (1S)-1-amino-2-phenylpropan-1-ol is CC(c1ccccc1)[C@@H](N)O.
What is the InChIKey of (1S)-1-amino-2-phenylpropan-1-ol?
The InChIKey is SIJOKGQYWLXCII-NETXQHHPSA-N. The full InChI is InChI=1S/C9H13NO/c1-7(9(10)11)8-5-3-2-4-6-8/h2-7,9,11H,10H2,1H3/t7?,9-/m0/s1.
What are the key properties of (1S)-1-amino-2-phenylpropan-1-ol?
(1S)-1-amino-2-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 (1S)-1-amino-2-phenylpropan-1-ol is sourced from PubChem (CID 130442875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).