5-[(1R)-1-aminoethyl]naphthalen-1-ol

C12H13NO — CID 131150444

IUPAC5-[(1R)-1-aminoethyl]naphthalen-1-ol
SMILESC[C@@H](N)c1cccc2c(O)cccc12
InChIInChI=1S/C12H13NO/c1-8(13)9-4-2-6-11-10(9)5-3-7-12(11)14/h2-8,14H,13H2,1H3/t8-/m1/s1
InChIKeyZJYDBGDGYKPNJW-MRVPVSSYSA-N
MW187.24 g/mol
LogP2.57
Rot. Bonds1

About 5-[(1R)-1-aminoethyl]naphthalen-1-ol

5-[(1R)-1-aminoethyl]naphthalen-1-ol (PubChem CID 131150444) has the molecular formula C12H13NO and a molecular weight of 187.24 g/mol. Its IUPAC name is 5-[(1R)-1-aminoethyl]naphthalen-1-ol.

Molecular Properties

Compound Name5-[(1R)-1-aminoethyl]naphthalen-1-ol
PubChem CID131150444
Molecular FormulaC12H13NO
Molecular Weight187.24 g/mol
Exact Mass187.10
IUPAC Name5-[(1R)-1-aminoethyl]naphthalen-1-ol
SMILESC[C@@H](N)c1cccc2c(O)cccc12
InChIInChI=1S/C12H13NO/c1-8(13)9-4-2-6-11-10(9)5-3-7-12(11)14/h2-8,14H,13H2,1H3/t8-/m1/s1
InChIKeyZJYDBGDGYKPNJW-MRVPVSSYSA-N
XLogP2.57
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

deuterium monohydride;(1R)-1-naphthalen-1-ylethanamine
CID 158157747
2-methylpropane;naphthalene-1,4-diol
CID 144756444
4-[(1R)-1-amino-2-methylbutyl]naphthalen-1-ol
CID 171208917
(1R)-1-quinolin-5-ylethanamine
CID 55277010
4-(1-aminopropyl)naphthalen-1-ol
CID 82263143
2,3-dihydroxybutanedioic acid;(1R)-1-naphthalen-1-ylethanamine
CID 158376535
2-amino-3-(4-hydroxynaphthalen-1-yl)butanoic acid
CID 168884973
3-[(1S,2R)-1-amino-2-hydroxypropyl]-2-methoxyphenol
CID 130664696
2-[(1R)-1-aminoethyl]-6-methylsulfanylphenol
CID 55263820
1-[2-[1-(methylamino)ethyl]phenyl]ethanamine
CID 139989769
ethane;naphthalene-1,5-diol;propane
CID 161367010
4-(1-methoxyethyl)naphthalen-1-ol
CID 102547369

Frequently Asked Questions

What is the IUPAC name of 5-[(1R)-1-aminoethyl]naphthalen-1-ol?
The IUPAC name of 5-[(1R)-1-aminoethyl]naphthalen-1-ol (CID 131150444) is 5-[(1R)-1-aminoethyl]naphthalen-1-ol.
What is the SMILES notation for 5-[(1R)-1-aminoethyl]naphthalen-1-ol?
The canonical SMILES for 5-[(1R)-1-aminoethyl]naphthalen-1-ol is C[C@@H](N)c1cccc2c(O)cccc12.
What is the InChIKey of 5-[(1R)-1-aminoethyl]naphthalen-1-ol?
The InChIKey is ZJYDBGDGYKPNJW-MRVPVSSYSA-N. The full InChI is InChI=1S/C12H13NO/c1-8(13)9-4-2-6-11-10(9)5-3-7-12(11)14/h2-8,14H,13H2,1H3/t8-/m1/s1.
What are the key properties of 5-[(1R)-1-aminoethyl]naphthalen-1-ol?
5-[(1R)-1-aminoethyl]naphthalen-1-ol has a molecular weight of 187.24 g/mol, XLogP of 2.57, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1R)-1-aminoethyl]naphthalen-1-ol is sourced from PubChem (CID 131150444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).