1-[(S)-amino(cyclobutyl)methyl]naphthalen-2-ol

C15H17NO — CID 171232064

IUPAC1-[(S)-amino(cyclobutyl)methyl]naphthalen-2-ol
SMILESN[C@H](c1c(O)ccc2ccccc12)C1CCC1
InChIInChI=1S/C15H17NO/c16-15(11-5-3-6-11)14-12-7-2-1-4-10(12)8-9-13(14)17/h1-2,4,7-9,11,15,17H,3,5-6,16H2/t15-/m0/s1
InChIKeyPYALCIBOJUZLHU-HNNXBMFYSA-N
MW227.31 g/mol
LogP3.35
Rot. Bonds2

About 1-[(S)-amino(cyclobutyl)methyl]naphthalen-2-ol

1-[(S)-amino(cyclobutyl)methyl]naphthalen-2-ol (PubChem CID 171232064) has the molecular formula C15H17NO and a molecular weight of 227.31 g/mol. Its IUPAC name is 1-[(S)-amino(cyclobutyl)methyl]naphthalen-2-ol.

Molecular Properties

Compound Name1-[(S)-amino(cyclobutyl)methyl]naphthalen-2-ol
PubChem CID171232064
Molecular FormulaC15H17NO
Molecular Weight227.31 g/mol
Exact Mass227.13
IUPAC Name1-[(S)-amino(cyclobutyl)methyl]naphthalen-2-ol
SMILESN[C@H](c1c(O)ccc2ccccc12)C1CCC1
InChIInChI=1S/C15H17NO/c16-15(11-5-3-6-11)14-12-7-2-1-4-10(12)8-9-13(14)17/h1-2,4,7-9,11,15,17H,3,5-6,16H2/t15-/m0/s1
InChIKeyPYALCIBOJUZLHU-HNNXBMFYSA-N
XLogP3.35
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

Analyze 1-[(S)-amino(cyclobutyl)methyl]naphthalen-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

Related Compounds

(S)-cyclobutyl-(2-ethoxynaphthalen-1-yl)methanamine;hydrochloride
CID 171233021
1-(1-amino-2-hydroxyethyl)naphthalen-2-ol
CID 77129792
(R)-cyclobutyl(naphthalen-1-yl)methanamine;hydrochloride
CID 171212042
1-[(1R)-1,2-diaminoethyl]naphthalen-2-ol;hydrochloride
CID 171232039
1-[(1S)-1-aminopropyl]naphthalen-2-ol
CID 93030603
1-[(R)-amino(phenyl)methyl]naphthalen-2-ol
CID 6935961
1-[(1R)-1-amino-2-methylpropyl]naphthalen-2-ol
CID 39345560
(R)-cyclopropyl-(2-methoxynaphthalen-1-yl)methanamine;hydrochloride
CID 171212946
1-(1-amino-3-hydroxypropyl)naphthalen-2-ol;hydrochloride
CID 170874425
2-[amino(cyclopropyl)methyl]-3-(hydroxymethyl)phenol
CID 130042224
3-amino-3-(2-hydroxynaphthalen-1-yl)propanamide
CID 170875681
(R)-cyclobutyl(phenanthren-9-yl)methanamine
CID 171212831

Frequently Asked Questions

What is the IUPAC name of 1-[(S)-amino(cyclobutyl)methyl]naphthalen-2-ol?
The IUPAC name of 1-[(S)-amino(cyclobutyl)methyl]naphthalen-2-ol (CID 171232064) is 1-[(S)-amino(cyclobutyl)methyl]naphthalen-2-ol.
What is the SMILES notation for 1-[(S)-amino(cyclobutyl)methyl]naphthalen-2-ol?
The canonical SMILES for 1-[(S)-amino(cyclobutyl)methyl]naphthalen-2-ol is N[C@H](c1c(O)ccc2ccccc12)C1CCC1.
What is the InChIKey of 1-[(S)-amino(cyclobutyl)methyl]naphthalen-2-ol?
The InChIKey is PYALCIBOJUZLHU-HNNXBMFYSA-N. The full InChI is InChI=1S/C15H17NO/c16-15(11-5-3-6-11)14-12-7-2-1-4-10(12)8-9-13(14)17/h1-2,4,7-9,11,15,17H,3,5-6,16H2/t15-/m0/s1.
What are the key properties of 1-[(S)-amino(cyclobutyl)methyl]naphthalen-2-ol?
1-[(S)-amino(cyclobutyl)methyl]naphthalen-2-ol has a molecular weight of 227.31 g/mol, XLogP of 3.35, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(S)-amino(cyclobutyl)methyl]naphthalen-2-ol is sourced from PubChem (CID 171232064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).