3-amino-3-naphthalen-2-ylbutan-1-ol

C14H17NO — CID 65239621

IUPAC3-amino-3-naphthalen-2-ylbutan-1-ol
SMILESCC(N)(CCO)c1ccc2ccccc2c1
InChIInChI=1S/C14H17NO/c1-14(15,8-9-16)13-7-6-11-4-2-3-5-12(11)10-13/h2-7,10,16H,8-9,15H2,1H3
InChIKeyNEEALWJJHYNWIE-UHFFFAOYSA-N
MW215.30 g/mol
LogP2.40
Rot. Bonds3

About 3-amino-3-naphthalen-2-ylbutan-1-ol

3-amino-3-naphthalen-2-ylbutan-1-ol (PubChem CID 65239621) has the molecular formula C14H17NO and a molecular weight of 215.30 g/mol. Its IUPAC name is 3-amino-3-naphthalen-2-ylbutan-1-ol.

Molecular Properties

Compound Name3-amino-3-naphthalen-2-ylbutan-1-ol
PubChem CID65239621
Molecular FormulaC14H17NO
Molecular Weight215.30 g/mol
Exact Mass215.13
IUPAC Name3-amino-3-naphthalen-2-ylbutan-1-ol
SMILESCC(N)(CCO)c1ccc2ccccc2c1
InChIInChI=1S/C14H17NO/c1-14(15,8-9-16)13-7-6-11-4-2-3-5-12(11)10-13/h2-7,10,16H,8-9,15H2,1H3
InChIKeyNEEALWJJHYNWIE-UHFFFAOYSA-N
XLogP2.40
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3-amino-3-naphthalen-2-ylbutan-1-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-3-naphthalen-2-ylbutan-1-ol?
The IUPAC name of 3-amino-3-naphthalen-2-ylbutan-1-ol (CID 65239621) is 3-amino-3-naphthalen-2-ylbutan-1-ol.
What is the SMILES notation for 3-amino-3-naphthalen-2-ylbutan-1-ol?
The canonical SMILES for 3-amino-3-naphthalen-2-ylbutan-1-ol is CC(N)(CCO)c1ccc2ccccc2c1.
What is the InChIKey of 3-amino-3-naphthalen-2-ylbutan-1-ol?
The InChIKey is NEEALWJJHYNWIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO/c1-14(15,8-9-16)13-7-6-11-4-2-3-5-12(11)10-13/h2-7,10,16H,8-9,15H2,1H3.
What are the key properties of 3-amino-3-naphthalen-2-ylbutan-1-ol?
3-amino-3-naphthalen-2-ylbutan-1-ol has a molecular weight of 215.30 g/mol, XLogP of 2.40, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-3-naphthalen-2-ylbutan-1-ol is sourced from PubChem (CID 65239621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).