3-amino-1-(2-ethoxynaphthalen-1-yl)propane-1,2-diol

C15H19NO3 — CID 170829187

IUPAC3-amino-1-(2-ethoxynaphthalen-1-yl)propane-1,2-diol
SMILESCCOc1ccc2ccccc2c1C(O)C(O)CN
InChIInChI=1S/C15H19NO3/c1-2-19-13-8-7-10-5-3-4-6-11(10)14(13)15(18)12(17)9-16/h3-8,12,15,17-18H,2,9,16H2,1H3
InChIKeyGUSSLINXOGPFQS-UHFFFAOYSA-N
MW261.32 g/mol
LogP1.59
Rot. Bonds5

About 3-amino-1-(2-ethoxynaphthalen-1-yl)propane-1,2-diol

3-amino-1-(2-ethoxynaphthalen-1-yl)propane-1,2-diol (PubChem CID 170829187) has the molecular formula C15H19NO3 and a molecular weight of 261.32 g/mol. Its IUPAC name is 3-amino-1-(2-ethoxynaphthalen-1-yl)propane-1,2-diol.

Molecular Properties

Compound Name3-amino-1-(2-ethoxynaphthalen-1-yl)propane-1,2-diol
PubChem CID170829187
Molecular FormulaC15H19NO3
Molecular Weight261.32 g/mol
Exact Mass261.14
IUPAC Name3-amino-1-(2-ethoxynaphthalen-1-yl)propane-1,2-diol
SMILESCCOc1ccc2ccccc2c1C(O)C(O)CN
InChIInChI=1S/C15H19NO3/c1-2-19-13-8-7-10-5-3-4-6-11(10)14(13)15(18)12(17)9-16/h3-8,12,15,17-18H,2,9,16H2,1H3
InChIKeyGUSSLINXOGPFQS-UHFFFAOYSA-N
XLogP1.59
TPSA75.71 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 51.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-ethoxynaphthalen-1-yl)-3-sulfanylpropane-1,2-diol
CID 170821052
(1S)-1-(2-ethoxynaphthalen-1-yl)ethanol
CID 95420561
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)propan-1-amine;hydrochloride
CID 171213379
(1R)-1-(2-ethoxynaphthalen-1-yl)propane-1,3-diamine;hydrochloride
CID 171213373
1-(2-ethoxynaphthalen-1-yl)-1-hydroxypropan-2-one
CID 142273790
ethyl (3S)-3-amino-3-(2-ethoxynaphthalen-1-yl)-2-fluoropropanoate
CID 171250846
(3R)-3-amino-3-(2-ethoxynaphthalen-1-yl)propan-1-ol;hydrochloride
CID 171213425
methyl (2S)-2-amino-2-(2-ethoxynaphthalen-1-yl)acetate
CID 171213419
(1R)-1-(2-ethoxynaphthalen-1-yl)-3-methylbutan-1-amine
CID 171213389
(1R)-1-(2-ethoxynaphthalen-1-yl)-2,2,2-trifluoroethanamine
CID 66512241

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(2-ethoxynaphthalen-1-yl)propane-1,2-diol?
The IUPAC name of 3-amino-1-(2-ethoxynaphthalen-1-yl)propane-1,2-diol (CID 170829187) is 3-amino-1-(2-ethoxynaphthalen-1-yl)propane-1,2-diol.
What is the SMILES notation for 3-amino-1-(2-ethoxynaphthalen-1-yl)propane-1,2-diol?
The canonical SMILES for 3-amino-1-(2-ethoxynaphthalen-1-yl)propane-1,2-diol is CCOc1ccc2ccccc2c1C(O)C(O)CN.
What is the InChIKey of 3-amino-1-(2-ethoxynaphthalen-1-yl)propane-1,2-diol?
The InChIKey is GUSSLINXOGPFQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO3/c1-2-19-13-8-7-10-5-3-4-6-11(10)14(13)15(18)12(17)9-16/h3-8,12,15,17-18H,2,9,16H2,1H3.
What are the key properties of 3-amino-1-(2-ethoxynaphthalen-1-yl)propane-1,2-diol?
3-amino-1-(2-ethoxynaphthalen-1-yl)propane-1,2-diol has a molecular weight of 261.32 g/mol, XLogP of 1.59, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(2-ethoxynaphthalen-1-yl)propane-1,2-diol is sourced from PubChem (CID 170829187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).