2-amino-2-(2,4-dimethoxynaphthalen-1-yl)ethanol

C14H17NO3 — CID 139983141

IUPAC2-amino-2-(2,4-dimethoxynaphthalen-1-yl)ethanol
SMILESCOc1cc(OC)c2ccccc2c1C(N)CO
InChIInChI=1S/C14H17NO3/c1-17-12-7-13(18-2)14(11(15)8-16)10-6-4-3-5-9(10)12/h3-7,11,16H,8,15H2,1-2H3
InChIKeyDIDLHXYDIOLZBC-UHFFFAOYSA-N
MW247.29 g/mol
LogP1.85
Rot. Bonds4

About 2-amino-2-(2,4-dimethoxynaphthalen-1-yl)ethanol

2-amino-2-(2,4-dimethoxynaphthalen-1-yl)ethanol (PubChem CID 139983141) has the molecular formula C14H17NO3 and a molecular weight of 247.29 g/mol. Its IUPAC name is 2-amino-2-(2,4-dimethoxynaphthalen-1-yl)ethanol.

Molecular Properties

Compound Name2-amino-2-(2,4-dimethoxynaphthalen-1-yl)ethanol
PubChem CID139983141
Molecular FormulaC14H17NO3
Molecular Weight247.29 g/mol
Exact Mass247.12
IUPAC Name2-amino-2-(2,4-dimethoxynaphthalen-1-yl)ethanol
SMILESCOc1cc(OC)c2ccccc2c1C(N)CO
InChIInChI=1S/C14H17NO3/c1-17-12-7-13(18-2)14(11(15)8-16)10-6-4-3-5-9(10)12/h3-7,11,16H,8,15H2,1-2H3
InChIKeyDIDLHXYDIOLZBC-UHFFFAOYSA-N
XLogP1.85
TPSA64.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.29
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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(2R)-2-amino-2-(2,4,5-trimethoxyphenyl)ethanol
CID 42579772
2,4-dimethoxynaphthalen-1-ol
CID 12563547
(2S)-2-amino-2-(2,3-dimethoxyphenyl)ethanol
CID 55278202
(2R)-2-amino-2-[2-(hydroxymethyl)-4,5-dimethoxyphenyl]ethanol
CID 66515094
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CID 82077843
(2R)-2-amino-2-[3-(hydroxymethyl)-4-methoxyphenyl]ethanol
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Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(2,4-dimethoxynaphthalen-1-yl)ethanol?
The IUPAC name of 2-amino-2-(2,4-dimethoxynaphthalen-1-yl)ethanol (CID 139983141) is 2-amino-2-(2,4-dimethoxynaphthalen-1-yl)ethanol.
What is the SMILES notation for 2-amino-2-(2,4-dimethoxynaphthalen-1-yl)ethanol?
The canonical SMILES for 2-amino-2-(2,4-dimethoxynaphthalen-1-yl)ethanol is COc1cc(OC)c2ccccc2c1C(N)CO.
What is the InChIKey of 2-amino-2-(2,4-dimethoxynaphthalen-1-yl)ethanol?
The InChIKey is DIDLHXYDIOLZBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO3/c1-17-12-7-13(18-2)14(11(15)8-16)10-6-4-3-5-9(10)12/h3-7,11,16H,8,15H2,1-2H3.
What are the key properties of 2-amino-2-(2,4-dimethoxynaphthalen-1-yl)ethanol?
2-amino-2-(2,4-dimethoxynaphthalen-1-yl)ethanol has a molecular weight of 247.29 g/mol, XLogP of 1.85, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(2,4-dimethoxynaphthalen-1-yl)ethanol is sourced from PubChem (CID 139983141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).