2-amino-1-phenylbutan-1-ol

C10H15NO — CID 22187

IUPAC2-amino-1-phenylbutan-1-ol
SMILESCCC(N)C(O)c1ccccc1
InChIInChI=1S/C10H15NO/c1-2-9(11)10(12)8-6-4-3-5-7-8/h3-7,9-10,12H,2,11H2,1H3
InChIKeyUOZNVPFVNBRISY-UHFFFAOYSA-N
MW165.24 g/mol
LogP1.46
Rot. Bonds3

About 2-amino-1-phenylbutan-1-ol

2-amino-1-phenylbutan-1-ol (PubChem CID 22187) has the molecular formula C10H15NO and a molecular weight of 165.24 g/mol. Its IUPAC name is 2-amino-1-phenylbutan-1-ol.

Molecular Properties

Compound Name2-amino-1-phenylbutan-1-ol
PubChem CID22187
Molecular FormulaC10H15NO
Molecular Weight165.24 g/mol
Exact Mass165.12
IUPAC Name2-amino-1-phenylbutan-1-ol
SMILESCCC(N)C(O)c1ccccc1
InChIInChI=1S/C10H15NO/c1-2-9(11)10(12)8-6-4-3-5-7-8/h3-7,9-10,12H,2,11H2,1H3
InChIKeyUOZNVPFVNBRISY-UHFFFAOYSA-N
XLogP1.46
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 ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 3651
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CID 441457
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CID 9581
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CID 1000
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CID 62943
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CID 5032
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CID 4374
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Frequently Asked Questions

What is the IUPAC name of 2-amino-1-phenylbutan-1-ol?
The IUPAC name of 2-amino-1-phenylbutan-1-ol (CID 22187) is 2-amino-1-phenylbutan-1-ol.
What is the SMILES notation for 2-amino-1-phenylbutan-1-ol?
The canonical SMILES for 2-amino-1-phenylbutan-1-ol is CCC(N)C(O)c1ccccc1.
What is the InChIKey of 2-amino-1-phenylbutan-1-ol?
The InChIKey is UOZNVPFVNBRISY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO/c1-2-9(11)10(12)8-6-4-3-5-7-8/h3-7,9-10,12H,2,11H2,1H3.
What are the key properties of 2-amino-1-phenylbutan-1-ol?
2-amino-1-phenylbutan-1-ol has a molecular weight of 165.24 g/mol, XLogP of 1.46, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-phenylbutan-1-ol is sourced from PubChem (CID 22187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).