(3R)-3-amino-3-phenylbutan-1-ol

C10H15NO — CID 96656008

IUPAC(3R)-3-amino-3-phenylbutan-1-ol
SMILESC[C@@](N)(CCO)c1ccccc1
InChIInChI=1S/C10H15NO/c1-10(11,7-8-12)9-5-3-2-4-6-9/h2-6,12H,7-8,11H2,1H3/t10-/m1/s1
InChIKeyAKHRGCMDADTQRY-SNVBAGLBSA-N
MW165.24 g/mol
LogP1.24
Rot. Bonds3

About (3R)-3-amino-3-phenylbutan-1-ol

(3R)-3-amino-3-phenylbutan-1-ol (PubChem CID 96656008) has the molecular formula C10H15NO and a molecular weight of 165.24 g/mol. Its IUPAC name is (3R)-3-amino-3-phenylbutan-1-ol.

Molecular Properties

Compound Name(3R)-3-amino-3-phenylbutan-1-ol
PubChem CID96656008
Molecular FormulaC10H15NO
Molecular Weight165.24 g/mol
Exact Mass165.12
IUPAC Name(3R)-3-amino-3-phenylbutan-1-ol
SMILESC[C@@](N)(CCO)c1ccccc1
InChIInChI=1S/C10H15NO/c1-10(11,7-8-12)9-5-3-2-4-6-9/h2-6,12H,7-8,11H2,1H3/t10-/m1/s1
InChIKeyAKHRGCMDADTQRY-SNVBAGLBSA-N
XLogP1.24
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.24
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-amino-3-phenylbutan-1-ol?
The IUPAC name of (3R)-3-amino-3-phenylbutan-1-ol (CID 96656008) is (3R)-3-amino-3-phenylbutan-1-ol.
What is the SMILES notation for (3R)-3-amino-3-phenylbutan-1-ol?
The canonical SMILES for (3R)-3-amino-3-phenylbutan-1-ol is C[C@@](N)(CCO)c1ccccc1.
What is the InChIKey of (3R)-3-amino-3-phenylbutan-1-ol?
The InChIKey is AKHRGCMDADTQRY-SNVBAGLBSA-N. The full InChI is InChI=1S/C10H15NO/c1-10(11,7-8-12)9-5-3-2-4-6-9/h2-6,12H,7-8,11H2,1H3/t10-/m1/s1.
What are the key properties of (3R)-3-amino-3-phenylbutan-1-ol?
(3R)-3-amino-3-phenylbutan-1-ol has a molecular weight of 165.24 g/mol, XLogP of 1.24, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-amino-3-phenylbutan-1-ol is sourced from PubChem (CID 96656008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).