4-amino-4-phenylbutan-1-ol

C10H15NO — CID 22677686

IUPAC4-amino-4-phenylbutan-1-ol
SMILESNC(CCCO)c1ccccc1
InChIInChI=1S/C10H15NO/c11-10(7-4-8-12)9-5-2-1-3-6-9/h1-3,5-6,10,12H,4,7-8,11H2
InChIKeyAGOPKBQSZNSGSA-UHFFFAOYSA-N
MW165.24 g/mol
LogP1.46
Rot. Bonds4

About 4-amino-4-phenylbutan-1-ol

4-amino-4-phenylbutan-1-ol (PubChem CID 22677686) has the molecular formula C10H15NO and a molecular weight of 165.24 g/mol. Its IUPAC name is 4-amino-4-phenylbutan-1-ol.

Molecular Properties

Compound Name4-amino-4-phenylbutan-1-ol
PubChem CID22677686
Molecular FormulaC10H15NO
Molecular Weight165.24 g/mol
Exact Mass165.12
IUPAC Name4-amino-4-phenylbutan-1-ol
SMILESNC(CCCO)c1ccccc1
InChIInChI=1S/C10H15NO/c11-10(7-4-8-12)9-5-2-1-3-6-9/h1-3,5-6,10,12H,4,7-8,11H2
InChIKeyAGOPKBQSZNSGSA-UHFFFAOYSA-N
XLogP1.46
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
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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Frequently Asked Questions

What is the IUPAC name of 4-amino-4-phenylbutan-1-ol?
The IUPAC name of 4-amino-4-phenylbutan-1-ol (CID 22677686) is 4-amino-4-phenylbutan-1-ol.
What is the SMILES notation for 4-amino-4-phenylbutan-1-ol?
The canonical SMILES for 4-amino-4-phenylbutan-1-ol is NC(CCCO)c1ccccc1.
What is the InChIKey of 4-amino-4-phenylbutan-1-ol?
The InChIKey is AGOPKBQSZNSGSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO/c11-10(7-4-8-12)9-5-2-1-3-6-9/h1-3,5-6,10,12H,4,7-8,11H2.
What are the key properties of 4-amino-4-phenylbutan-1-ol?
4-amino-4-phenylbutan-1-ol has a molecular weight of 165.24 g/mol, XLogP of 1.46, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-4-phenylbutan-1-ol is sourced from PubChem (CID 22677686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).