3-amino-6-phenylhexan-2-ol

C12H19NO — CID 18419364

IUPAC3-amino-6-phenylhexan-2-ol
SMILESCC(O)C(N)CCCc1ccccc1
InChIInChI=1S/C12H19NO/c1-10(14)12(13)9-5-8-11-6-3-2-4-7-11/h2-4,6-7,10,12,14H,5,8-9,13H2,1H3
InChIKeyQIMRMZJWAWERAX-UHFFFAOYSA-N
MW193.29 g/mol
LogP1.72
Rot. Bonds5

About 3-amino-6-phenylhexan-2-ol

3-amino-6-phenylhexan-2-ol (PubChem CID 18419364) has the molecular formula C12H19NO and a molecular weight of 193.29 g/mol. Its IUPAC name is 3-amino-6-phenylhexan-2-ol.

Molecular Properties

Compound Name3-amino-6-phenylhexan-2-ol
PubChem CID18419364
Molecular FormulaC12H19NO
Molecular Weight193.29 g/mol
Exact Mass193.15
IUPAC Name3-amino-6-phenylhexan-2-ol
SMILESCC(O)C(N)CCCc1ccccc1
InChIInChI=1S/C12H19NO/c1-10(14)12(13)9-5-8-11-6-3-2-4-7-11/h2-4,6-7,10,12,14H,5,8-9,13H2,1H3
InChIKeyQIMRMZJWAWERAX-UHFFFAOYSA-N
XLogP1.72
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3-amino-6-phenylhexan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-amino-6-phenylhexan-2-ol?
The IUPAC name of 3-amino-6-phenylhexan-2-ol (CID 18419364) is 3-amino-6-phenylhexan-2-ol.
What is the SMILES notation for 3-amino-6-phenylhexan-2-ol?
The canonical SMILES for 3-amino-6-phenylhexan-2-ol is CC(O)C(N)CCCc1ccccc1.
What is the InChIKey of 3-amino-6-phenylhexan-2-ol?
The InChIKey is QIMRMZJWAWERAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO/c1-10(14)12(13)9-5-8-11-6-3-2-4-7-11/h2-4,6-7,10,12,14H,5,8-9,13H2,1H3.
What are the key properties of 3-amino-6-phenylhexan-2-ol?
3-amino-6-phenylhexan-2-ol has a molecular weight of 193.29 g/mol, XLogP of 1.72, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-phenylhexan-2-ol is sourced from PubChem (CID 18419364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).