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

C18H26ClNO3 — CID 20542041

IUPAC2-(tert-butylamino)-1-(4,8-dimethoxynaphthalen-1-yl)ethanol;hydrochloride
SMILESCOc1ccc(C(O)CNC(C)(C)C)c2c(OC)cccc12.Cl
InChIInChI=1S/C18H25NO3.ClH/c1-18(2,3)19-11-14(20)12-9-10-15(21-4)13-7-6-8-16(22-5)17(12)13;/h6-10,14,19-20H,11H2,1-5H3;1H
InChIKeyYZTGEKXOBQRWMQ-UHFFFAOYSA-N
MW339.86 g/mol
LogP3.70
Rot. Bonds5

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

2-(tert-butylamino)-1-(4,8-dimethoxynaphthalen-1-yl)ethanol;hydrochloride (PubChem CID 20542041) has the molecular formula C18H26ClNO3 and a molecular weight of 339.86 g/mol. Its IUPAC name is 2-(tert-butylamino)-1-(4,8-dimethoxynaphthalen-1-yl)ethanol;hydrochloride.

Molecular Properties

Compound Name2-(tert-butylamino)-1-(4,8-dimethoxynaphthalen-1-yl)ethanol;hydrochloride
PubChem CID20542041
Molecular FormulaC18H26ClNO3
Molecular Weight339.86 g/mol
Exact Mass339.16
IUPAC Name2-(tert-butylamino)-1-(4,8-dimethoxynaphthalen-1-yl)ethanol;hydrochloride
SMILESCOc1ccc(C(O)CNC(C)(C)C)c2c(OC)cccc12.Cl
InChIInChI=1S/C18H25NO3.ClH/c1-18(2,3)19-11-14(20)12-9-10-15(21-4)13-7-6-8-16(22-5)17(12)13;/h6-10,14,19-20H,11H2,1-5H3;1H
InChIKeyYZTGEKXOBQRWMQ-UHFFFAOYSA-N
XLogP3.70
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.86
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-(tert-butylamino)-1-(4,8-dimethoxynaphthalen-1-yl)ethanol;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(4,8-dimethoxynaphthalen-1-yl)-2-(dimethylamino)ethanol;hydrochloride
CID 20541912
2-(tert-butylamino)-1-(2-methoxy-5-methylphenyl)ethanol
CID 60901325
4-[(1R)-2-(tert-butylamino)-1-hydroxyethyl]-3-chloro-2-methoxyphenol
CID 97170295
N-tert-butyl-3-(2,6-dimethoxyphenoxy)-2-methylpropan-1-amine
CID 62451084
(1S)-2-(tert-butylamino)-1-[3-(hydroxymethyl)-4-methoxyphenyl]ethanol
CID 125479745
(1R)-2-(tert-butylamino)-1-[3-(hydroxymethyl)-4-methoxyphenyl]ethanol
CID 125479748
2-(4,8-dimethoxynaphthalen-1-yl)propanenitrile
CID 11333945
[2-[2-(tert-butylamino)-1-hydroxyethyl]phenyl] 3,3-dimethylbutanoate;hydrochloride
CID 70463616
(1R)-2-(tert-butylamino)-1-(2-chlorophenyl)ethanol;hydrochloride
CID 45357807
2-(tert-butylamino)-1-(2,4-difluorophenyl)ethanol
CID 60900936
4-[2-(tert-butylamino)-1-hydroxyethyl]-2-methoxyphenol
CID 58461759
1-(4,5,8-trimethoxynaphthalen-1-yl)propan-1-ol
CID 139659328

Frequently Asked Questions

What is the IUPAC name of 2-(tert-butylamino)-1-(4,8-dimethoxynaphthalen-1-yl)ethanol;hydrochloride?
The IUPAC name of 2-(tert-butylamino)-1-(4,8-dimethoxynaphthalen-1-yl)ethanol;hydrochloride (CID 20542041) is 2-(tert-butylamino)-1-(4,8-dimethoxynaphthalen-1-yl)ethanol;hydrochloride.
What is the SMILES notation for 2-(tert-butylamino)-1-(4,8-dimethoxynaphthalen-1-yl)ethanol;hydrochloride?
The canonical SMILES for 2-(tert-butylamino)-1-(4,8-dimethoxynaphthalen-1-yl)ethanol;hydrochloride is COc1ccc(C(O)CNC(C)(C)C)c2c(OC)cccc12.Cl.
What is the InChIKey of 2-(tert-butylamino)-1-(4,8-dimethoxynaphthalen-1-yl)ethanol;hydrochloride?
The InChIKey is YZTGEKXOBQRWMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO3.ClH/c1-18(2,3)19-11-14(20)12-9-10-15(21-4)13-7-6-8-16(22-5)17(12)13;/h6-10,14,19-20H,11H2,1-5H3;1H.
What are the key properties of 2-(tert-butylamino)-1-(4,8-dimethoxynaphthalen-1-yl)ethanol;hydrochloride?
2-(tert-butylamino)-1-(4,8-dimethoxynaphthalen-1-yl)ethanol;hydrochloride has a molecular weight of 339.86 g/mol, XLogP of 3.70, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(tert-butylamino)-1-(4,8-dimethoxynaphthalen-1-yl)ethanol;hydrochloride is sourced from PubChem (CID 20542041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).