(3R)-3-amino-3-(2-ethoxynaphthalen-1-yl)propan-1-ol;hydrochloride

C15H20ClNO2 — CID 171213425

IUPAC(3R)-3-amino-3-(2-ethoxynaphthalen-1-yl)propan-1-ol;hydrochloride
SMILESCCOc1ccc2ccccc2c1[C@H](N)CCO.Cl
InChIInChI=1S/C15H19NO2.ClH/c1-2-18-14-8-7-11-5-3-4-6-12(11)15(14)13(16)9-10-17;/h3-8,13,17H,2,9-10,16H2,1H3;1H/t13-;/m1./s1
InChIKeyCSDTZWLKQDCCDY-BTQNPOSSSA-N
MW281.78 g/mol
LogP3.04
Rot. Bonds5

About (3R)-3-amino-3-(2-ethoxynaphthalen-1-yl)propan-1-ol;hydrochloride

(3R)-3-amino-3-(2-ethoxynaphthalen-1-yl)propan-1-ol;hydrochloride (PubChem CID 171213425) has the molecular formula C15H20ClNO2 and a molecular weight of 281.78 g/mol. Its IUPAC name is (3R)-3-amino-3-(2-ethoxynaphthalen-1-yl)propan-1-ol;hydrochloride.

Molecular Properties

Compound Name(3R)-3-amino-3-(2-ethoxynaphthalen-1-yl)propan-1-ol;hydrochloride
PubChem CID171213425
Molecular FormulaC15H20ClNO2
Molecular Weight281.78 g/mol
Exact Mass281.12
IUPAC Name(3R)-3-amino-3-(2-ethoxynaphthalen-1-yl)propan-1-ol;hydrochloride
SMILESCCOc1ccc2ccccc2c1[C@H](N)CCO.Cl
InChIInChI=1S/C15H19NO2.ClH/c1-2-18-14-8-7-11-5-3-4-6-12(11)15(14)13(16)9-10-17;/h3-8,13,17H,2,9-10,16H2,1H3;1H/t13-;/m1./s1
InChIKeyCSDTZWLKQDCCDY-BTQNPOSSSA-N
XLogP3.04
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.78
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(4R)-4-amino-4-(2-ethoxynaphthalen-1-yl)butan-1-ol;hydrochloride
CID 171213427
(1R)-1-(2-ethoxynaphthalen-1-yl)propane-1,3-diamine;hydrochloride
CID 171213373
(1R)-1-(2-ethoxynaphthalen-1-yl)propan-1-amine;hydrochloride
CID 171213379
(1R)-1-(2-ethoxynaphthalen-1-yl)pentan-1-amine
CID 171213385
1-(2-ethoxynaphthalen-1-yl)propan-1-amine
CID 82263032
(1S)-1-(2-ethoxynaphthalen-1-yl)propan-1-amine
CID 95420558
(1R)-1-(2-ethoxynaphthalen-1-yl)-3-methylbutan-1-amine
CID 171213389
1-(1-amino-3-hydroxypropyl)naphthalen-2-ol;hydrochloride
CID 170874425
(1S)-1-(2-ethoxynaphthalen-1-yl)ethanol
CID 95420561
(1S)-1-(2-ethoxynaphthalen-1-yl)-2,2,2-trifluoroethanamine;hydrochloride
CID 171250833
methyl (2S)-2-amino-2-(2-ethoxynaphthalen-1-yl)acetate
CID 171213419
(1R)-1-(2-ethoxynaphthalen-1-yl)-2,2,2-trifluoroethanamine
CID 66512241

Frequently Asked Questions

What is the IUPAC name of (3R)-3-amino-3-(2-ethoxynaphthalen-1-yl)propan-1-ol;hydrochloride?
The IUPAC name of (3R)-3-amino-3-(2-ethoxynaphthalen-1-yl)propan-1-ol;hydrochloride (CID 171213425) is (3R)-3-amino-3-(2-ethoxynaphthalen-1-yl)propan-1-ol;hydrochloride.
What is the SMILES notation for (3R)-3-amino-3-(2-ethoxynaphthalen-1-yl)propan-1-ol;hydrochloride?
The canonical SMILES for (3R)-3-amino-3-(2-ethoxynaphthalen-1-yl)propan-1-ol;hydrochloride is CCOc1ccc2ccccc2c1[C@H](N)CCO.Cl.
What is the InChIKey of (3R)-3-amino-3-(2-ethoxynaphthalen-1-yl)propan-1-ol;hydrochloride?
The InChIKey is CSDTZWLKQDCCDY-BTQNPOSSSA-N. The full InChI is InChI=1S/C15H19NO2.ClH/c1-2-18-14-8-7-11-5-3-4-6-12(11)15(14)13(16)9-10-17;/h3-8,13,17H,2,9-10,16H2,1H3;1H/t13-;/m1./s1.
What are the key properties of (3R)-3-amino-3-(2-ethoxynaphthalen-1-yl)propan-1-ol;hydrochloride?
(3R)-3-amino-3-(2-ethoxynaphthalen-1-yl)propan-1-ol;hydrochloride has a molecular weight of 281.78 g/mol, XLogP of 3.04, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-amino-3-(2-ethoxynaphthalen-1-yl)propan-1-ol;hydrochloride is sourced from PubChem (CID 171213425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).