(1S)-2-amino-1-(6-methoxynaphthalen-2-yl)ethanol

C13H15NO2 — CID 28743407

IUPAC(1S)-2-amino-1-(6-methoxynaphthalen-2-yl)ethanol
SMILESCOc1ccc2cc([C@H](O)CN)ccc2c1
InChIInChI=1S/C13H15NO2/c1-16-12-5-4-9-6-11(13(15)8-14)3-2-10(9)7-12/h2-7,13,15H,8,14H2,1H3/t13-/m1/s1
InChIKeyBCEXJMFVZFCSNH-CYBMUJFWSA-N
MW217.27 g/mol
LogP1.84
Rot. Bonds3

About (1S)-2-amino-1-(6-methoxynaphthalen-2-yl)ethanol

(1S)-2-amino-1-(6-methoxynaphthalen-2-yl)ethanol (PubChem CID 28743407) has the molecular formula C13H15NO2 and a molecular weight of 217.27 g/mol. Its IUPAC name is (1S)-2-amino-1-(6-methoxynaphthalen-2-yl)ethanol.

Molecular Properties

Compound Name(1S)-2-amino-1-(6-methoxynaphthalen-2-yl)ethanol
PubChem CID28743407
Molecular FormulaC13H15NO2
Molecular Weight217.27 g/mol
Exact Mass217.11
IUPAC Name(1S)-2-amino-1-(6-methoxynaphthalen-2-yl)ethanol
SMILESCOc1ccc2cc([C@H](O)CN)ccc2c1
InChIInChI=1S/C13H15NO2/c1-16-12-5-4-9-6-11(13(15)8-14)3-2-10(9)7-12/h2-7,13,15H,8,14H2,1H3/t13-/m1/s1
InChIKeyBCEXJMFVZFCSNH-CYBMUJFWSA-N
XLogP1.84
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-bromo-1-(6-methoxynaphthalen-2-yl)ethanol
CID 116863268
1,3-diamino-1-(6-methoxynaphthalen-2-yl)propan-2-ol
CID 116942613
(2S)-2-(6-methoxynaphthalen-2-yl)propan-1-amine
CID 93286235
amino-(6-methoxynaphthalen-2-yl)methanol
CID 116939708
(1R)-1-(6-methoxynaphthalen-2-yl)ethane-1,2-diamine;hydrochloride
CID 171218891
1-(6-methoxynaphthalen-2-yl)-2-(2-methylpropylamino)ethanol
CID 62772783
1-(6-methoxynaphthalen-2-yl)-3-methylsulfonylpropan-1-ol
CID 65148590
1-(6-methoxynaphthalen-2-yl)-3-(4-methylphenyl)propan-1-ol
CID 102441860
1-(6-methoxynaphthalen-2-yl)-4-methylsulfonylbutan-1-ol
CID 65148541
(1R)-2-amino-1-(3,4-dimethoxyphenyl)ethanol;hydrochloride
CID 163203583
2,2-dichloro-1-(6-methoxynaphthalen-2-yl)ethanol
CID 164892254
(6-methoxynaphthalen-2-yl)-(methylamino)methanol
CID 116954754

Frequently Asked Questions

What is the IUPAC name of (1S)-2-amino-1-(6-methoxynaphthalen-2-yl)ethanol?
The IUPAC name of (1S)-2-amino-1-(6-methoxynaphthalen-2-yl)ethanol (CID 28743407) is (1S)-2-amino-1-(6-methoxynaphthalen-2-yl)ethanol.
What is the SMILES notation for (1S)-2-amino-1-(6-methoxynaphthalen-2-yl)ethanol?
The canonical SMILES for (1S)-2-amino-1-(6-methoxynaphthalen-2-yl)ethanol is COc1ccc2cc([C@H](O)CN)ccc2c1.
What is the InChIKey of (1S)-2-amino-1-(6-methoxynaphthalen-2-yl)ethanol?
The InChIKey is BCEXJMFVZFCSNH-CYBMUJFWSA-N. The full InChI is InChI=1S/C13H15NO2/c1-16-12-5-4-9-6-11(13(15)8-14)3-2-10(9)7-12/h2-7,13,15H,8,14H2,1H3/t13-/m1/s1.
What are the key properties of (1S)-2-amino-1-(6-methoxynaphthalen-2-yl)ethanol?
(1S)-2-amino-1-(6-methoxynaphthalen-2-yl)ethanol has a molecular weight of 217.27 g/mol, XLogP of 1.84, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-2-amino-1-(6-methoxynaphthalen-2-yl)ethanol is sourced from PubChem (CID 28743407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).