1-(4,8-dimethoxynaphthalen-1-yl)-2-(dimethylamino)ethanol;hydrochloride

C16H22ClNO3 — CID 20541912

IUPAC1-(4,8-dimethoxynaphthalen-1-yl)-2-(dimethylamino)ethanol;hydrochloride
SMILESCOc1ccc(C(O)CN(C)C)c2c(OC)cccc12.Cl
InChIInChI=1S/C16H21NO3.ClH/c1-17(2)10-13(18)11-8-9-14(19-3)12-6-5-7-15(20-4)16(11)12;/h5-9,13,18H,10H2,1-4H3;1H
InChIKeyNEUXUQLZAYKSBL-UHFFFAOYSA-N
MW311.81 g/mol
LogP2.87
Rot. Bonds5

About 1-(4,8-dimethoxynaphthalen-1-yl)-2-(dimethylamino)ethanol;hydrochloride

1-(4,8-dimethoxynaphthalen-1-yl)-2-(dimethylamino)ethanol;hydrochloride (PubChem CID 20541912) has the molecular formula C16H22ClNO3 and a molecular weight of 311.81 g/mol. Its IUPAC name is 1-(4,8-dimethoxynaphthalen-1-yl)-2-(dimethylamino)ethanol;hydrochloride.

Molecular Properties

Compound Name1-(4,8-dimethoxynaphthalen-1-yl)-2-(dimethylamino)ethanol;hydrochloride
PubChem CID20541912
Molecular FormulaC16H22ClNO3
Molecular Weight311.81 g/mol
Exact Mass311.13
IUPAC Name1-(4,8-dimethoxynaphthalen-1-yl)-2-(dimethylamino)ethanol;hydrochloride
SMILESCOc1ccc(C(O)CN(C)C)c2c(OC)cccc12.Cl
InChIInChI=1S/C16H21NO3.ClH/c1-17(2)10-13(18)11-8-9-14(19-3)12-6-5-7-15(20-4)16(11)12;/h5-9,13,18H,10H2,1-4H3;1H
InChIKeyNEUXUQLZAYKSBL-UHFFFAOYSA-N
XLogP2.87
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.81
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(tert-butylamino)-1-(4,8-dimethoxynaphthalen-1-yl)ethanol;hydrochloride
CID 20542041
3-[(4,8-dimethoxynaphthalen-1-yl)methyl-methylamino]propane-1,2-diol
CID 77094953
2-(4,8-dimethoxynaphthalen-1-yl)propanenitrile
CID 11333945
1-(4,5,8-trimethoxynaphthalen-1-yl)propan-1-ol
CID 139659328
(1S)-1-(3,4-dimethoxyphenyl)-2-(dimethylamino)ethanol
CID 40574216
(1S)-1-(4-chloronaphthalen-1-yl)-2-(dimethylamino)ethanol
CID 3246100
1-(2,6-dimethoxyphenyl)-3-(dimethylamino)propan-1-ol
CID 116810226
(1R)-1-(4-methoxynaphthalen-1-yl)ethanol
CID 82758527
3-(dimethylamino)-1-(2-methoxyphenyl)propan-1-ol
CID 69429374
1-(dimethylamino)-3-(2-methoxyphenyl)propan-2-ol
CID 79088057
1-(4-methoxynaphthalen-1-yl)octan-1-ol
CID 63426458
2-amino-1-(2-methoxyphenyl)ethanol;hydrochloride
CID 54593518

Frequently Asked Questions

What is the IUPAC name of 1-(4,8-dimethoxynaphthalen-1-yl)-2-(dimethylamino)ethanol;hydrochloride?
The IUPAC name of 1-(4,8-dimethoxynaphthalen-1-yl)-2-(dimethylamino)ethanol;hydrochloride (CID 20541912) is 1-(4,8-dimethoxynaphthalen-1-yl)-2-(dimethylamino)ethanol;hydrochloride.
What is the SMILES notation for 1-(4,8-dimethoxynaphthalen-1-yl)-2-(dimethylamino)ethanol;hydrochloride?
The canonical SMILES for 1-(4,8-dimethoxynaphthalen-1-yl)-2-(dimethylamino)ethanol;hydrochloride is COc1ccc(C(O)CN(C)C)c2c(OC)cccc12.Cl.
What is the InChIKey of 1-(4,8-dimethoxynaphthalen-1-yl)-2-(dimethylamino)ethanol;hydrochloride?
The InChIKey is NEUXUQLZAYKSBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO3.ClH/c1-17(2)10-13(18)11-8-9-14(19-3)12-6-5-7-15(20-4)16(11)12;/h5-9,13,18H,10H2,1-4H3;1H.
What are the key properties of 1-(4,8-dimethoxynaphthalen-1-yl)-2-(dimethylamino)ethanol;hydrochloride?
1-(4,8-dimethoxynaphthalen-1-yl)-2-(dimethylamino)ethanol;hydrochloride has a molecular weight of 311.81 g/mol, XLogP of 2.87, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,8-dimethoxynaphthalen-1-yl)-2-(dimethylamino)ethanol;hydrochloride is sourced from PubChem (CID 20541912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).