1-(6-methoxynaphthalen-2-yl)-2-(2-methylpropylamino)ethanol

C17H23NO2 — CID 62772783

IUPAC1-(6-methoxynaphthalen-2-yl)-2-(2-methylpropylamino)ethanol
SMILESCOc1ccc2cc(C(O)CNCC(C)C)ccc2c1
InChIInChI=1S/C17H23NO2/c1-12(2)10-18-11-17(19)15-5-4-14-9-16(20-3)7-6-13(14)8-15/h4-9,12,17-19H,10-11H2,1-3H3
InChIKeyBQDKHJNWGTWSFR-UHFFFAOYSA-N
MW273.38 g/mol
LogP3.13
Rot. Bonds6

About 1-(6-methoxynaphthalen-2-yl)-2-(2-methylpropylamino)ethanol

1-(6-methoxynaphthalen-2-yl)-2-(2-methylpropylamino)ethanol (PubChem CID 62772783) has the molecular formula C17H23NO2 and a molecular weight of 273.38 g/mol. Its IUPAC name is 1-(6-methoxynaphthalen-2-yl)-2-(2-methylpropylamino)ethanol.

Molecular Properties

Compound Name1-(6-methoxynaphthalen-2-yl)-2-(2-methylpropylamino)ethanol
PubChem CID62772783
Molecular FormulaC17H23NO2
Molecular Weight273.38 g/mol
Exact Mass273.17
IUPAC Name1-(6-methoxynaphthalen-2-yl)-2-(2-methylpropylamino)ethanol
SMILESCOc1ccc2cc(C(O)CNCC(C)C)ccc2c1
InChIInChI=1S/C17H23NO2/c1-12(2)10-18-11-17(19)15-5-4-14-9-16(20-3)7-6-13(14)8-15/h4-9,12,17-19H,10-11H2,1-3H3
InChIKeyBQDKHJNWGTWSFR-UHFFFAOYSA-N
XLogP3.13
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-(6-methoxynaphthalen-2-yl)-2-(2-methylpropylamino)ethanol 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

N-[1-(6-methoxynaphthalen-2-yl)ethyl]-2-methylpropan-1-amine
CID 43190378
(1S)-2-amino-1-(6-methoxynaphthalen-2-yl)ethanol
CID 28743407
2-bromo-1-(6-methoxynaphthalen-2-yl)ethanol
CID 116863268
1,1-difluoro-3-[[2-hydroxy-2-(4-methoxyphenyl)ethyl]amino]propan-2-ol
CID 114093465
N-ethyl-2-(6-methoxynaphthalen-2-yl)propan-1-amine
CID 54856188
1-(6-methoxynaphthalen-2-yl)-3-(methylamino)propane-1,2-diol
CID 171858748
(2S)-N-(2-hydroxypropyl)-2-(6-methoxynaphthalen-2-yl)propanamide
CID 110901591
3-[[2-hydroxy-2-(3-methoxyphenyl)ethyl]amino]-2-methylpropan-1-ol
CID 78967042
(6-methoxynaphthalen-2-yl)-(methylamino)methanol
CID 116954754
2-(6-methoxynaphthalen-2-yl)-4-methylpentan-3-ol
CID 79298435
N,N'-bis[1-(6-methoxynaphthalen-2-yl)ethyl]ethane-1,2-diamine
CID 23154308
1-(4-methoxyphenoxy)-3-(2-methylpropylamino)propan-2-ol
CID 559347

Frequently Asked Questions

What is the IUPAC name of 1-(6-methoxynaphthalen-2-yl)-2-(2-methylpropylamino)ethanol?
The IUPAC name of 1-(6-methoxynaphthalen-2-yl)-2-(2-methylpropylamino)ethanol (CID 62772783) is 1-(6-methoxynaphthalen-2-yl)-2-(2-methylpropylamino)ethanol.
What is the SMILES notation for 1-(6-methoxynaphthalen-2-yl)-2-(2-methylpropylamino)ethanol?
The canonical SMILES for 1-(6-methoxynaphthalen-2-yl)-2-(2-methylpropylamino)ethanol is COc1ccc2cc(C(O)CNCC(C)C)ccc2c1.
What is the InChIKey of 1-(6-methoxynaphthalen-2-yl)-2-(2-methylpropylamino)ethanol?
The InChIKey is BQDKHJNWGTWSFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO2/c1-12(2)10-18-11-17(19)15-5-4-14-9-16(20-3)7-6-13(14)8-15/h4-9,12,17-19H,10-11H2,1-3H3.
What are the key properties of 1-(6-methoxynaphthalen-2-yl)-2-(2-methylpropylamino)ethanol?
1-(6-methoxynaphthalen-2-yl)-2-(2-methylpropylamino)ethanol has a molecular weight of 273.38 g/mol, XLogP of 3.13, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-methoxynaphthalen-2-yl)-2-(2-methylpropylamino)ethanol is sourced from PubChem (CID 62772783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).