1-[(1S)-1-aminopropyl]naphthalen-2-ol

C13H15NO — CID 93030603

IUPAC1-[(1S)-1-aminopropyl]naphthalen-2-ol
SMILESCC[C@H](N)c1c(O)ccc2ccccc12
InChIInChI=1S/C13H15NO/c1-2-11(14)13-10-6-4-3-5-9(10)7-8-12(13)15/h3-8,11,15H,2,14H2,1H3/t11-/m0/s1
InChIKeyKYIDHVQLJMZGNK-NSHDSACASA-N
MW201.27 g/mol
LogP2.96
Rot. Bonds2

About 1-[(1S)-1-aminopropyl]naphthalen-2-ol

1-[(1S)-1-aminopropyl]naphthalen-2-ol (PubChem CID 93030603) has the molecular formula C13H15NO and a molecular weight of 201.27 g/mol. Its IUPAC name is 1-[(1S)-1-aminopropyl]naphthalen-2-ol.

Molecular Properties

Compound Name1-[(1S)-1-aminopropyl]naphthalen-2-ol
PubChem CID93030603
Molecular FormulaC13H15NO
Molecular Weight201.27 g/mol
Exact Mass201.12
IUPAC Name1-[(1S)-1-aminopropyl]naphthalen-2-ol
SMILESCC[C@H](N)c1c(O)ccc2ccccc12
InChIInChI=1S/C13H15NO/c1-2-11(14)13-10-6-4-3-5-9(10)7-8-12(13)15/h3-8,11,15H,2,14H2,1H3/t11-/m0/s1
InChIKeyKYIDHVQLJMZGNK-NSHDSACASA-N
XLogP2.96
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(1-amino-2-hydroxyethyl)naphthalen-2-ol
CID 77129792
1-[(1R)-1,2-diaminoethyl]naphthalen-2-ol;hydrochloride
CID 171232039
1-[(1R)-1-amino-2-methylpropyl]naphthalen-2-ol
CID 39345560
1-(1-amino-3-hydroxypropyl)naphthalen-2-ol;hydrochloride
CID 170874425
3-amino-3-(2-hydroxynaphthalen-1-yl)propanamide
CID 170875681
1-[(1R,2S)-1-amino-2-hydroxypropyl]naphthalen-2-ol;hydrochloride
CID 171264640
1-[(1S)-1-hydroxyethyl]naphthalen-2-ol
CID 95420538
1-[(R)-amino(phenyl)methyl]naphthalen-2-ol
CID 6935961
1-[(1R)-1-amino-3,3,3-trifluoropropyl]naphthalen-2-ol;hydrochloride
CID 171212454
1-[(1S)-1-aminobut-3-enyl]naphthalen-2-ol;hydrochloride
CID 171232050
(1S)-1-(2-ethoxynaphthalen-1-yl)propan-1-amine
CID 95420558
1-(2-ethoxynaphthalen-1-yl)propan-1-amine
CID 82263032

Frequently Asked Questions

What is the IUPAC name of 1-[(1S)-1-aminopropyl]naphthalen-2-ol?
The IUPAC name of 1-[(1S)-1-aminopropyl]naphthalen-2-ol (CID 93030603) is 1-[(1S)-1-aminopropyl]naphthalen-2-ol.
What is the SMILES notation for 1-[(1S)-1-aminopropyl]naphthalen-2-ol?
The canonical SMILES for 1-[(1S)-1-aminopropyl]naphthalen-2-ol is CC[C@H](N)c1c(O)ccc2ccccc12.
What is the InChIKey of 1-[(1S)-1-aminopropyl]naphthalen-2-ol?
The InChIKey is KYIDHVQLJMZGNK-NSHDSACASA-N. The full InChI is InChI=1S/C13H15NO/c1-2-11(14)13-10-6-4-3-5-9(10)7-8-12(13)15/h3-8,11,15H,2,14H2,1H3/t11-/m0/s1.
What are the key properties of 1-[(1S)-1-aminopropyl]naphthalen-2-ol?
1-[(1S)-1-aminopropyl]naphthalen-2-ol has a molecular weight of 201.27 g/mol, XLogP of 2.96, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S)-1-aminopropyl]naphthalen-2-ol is sourced from PubChem (CID 93030603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).