3-[[(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)amino]methyl]-2-methyloxolan-3-ol

C17H25NO3 — CID 107270752

IUPAC3-[[(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)amino]methyl]-2-methyloxolan-3-ol
SMILESCOc1ccc2c(c1)CCCC2NCC1(O)CCOC1C
InChIInChI=1S/C17H25NO3/c1-12-17(19,8-9-21-12)11-18-16-5-3-4-13-10-14(20-2)6-7-15(13)16/h6-7,10,12,16,18-19H,3-5,8-9,11H2,1-2H3
InChIKeyGXLGSIREKNEZMH-UHFFFAOYSA-N
MW291.39 g/mol
LogP2.20
Rot. Bonds4

About 3-[[(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)amino]methyl]-2-methyloxolan-3-ol

3-[[(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)amino]methyl]-2-methyloxolan-3-ol (PubChem CID 107270752) has the molecular formula C17H25NO3 and a molecular weight of 291.39 g/mol. Its IUPAC name is 3-[[(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)amino]methyl]-2-methyloxolan-3-ol.

Molecular Properties

Compound Name3-[[(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)amino]methyl]-2-methyloxolan-3-ol
PubChem CID107270752
Molecular FormulaC17H25NO3
Molecular Weight291.39 g/mol
Exact Mass291.18
IUPAC Name3-[[(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)amino]methyl]-2-methyloxolan-3-ol
SMILESCOc1ccc2c(c1)CCCC2NCC1(O)CCOC1C
InChIInChI=1S/C17H25NO3/c1-12-17(19,8-9-21-12)11-18-16-5-3-4-13-10-14(20-2)6-7-15(13)16/h6-7,10,12,16,18-19H,3-5,8-9,11H2,1-2H3
InChIKeyGXLGSIREKNEZMH-UHFFFAOYSA-N
XLogP2.20
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-[[(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)amino]methyl]-2-methyloxolan-3-ol 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

2-[(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)amino]ethanol
CID 3016750
(1S)-6-methoxy-N-[(4-methylsulfanyloxan-4-yl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine
CID 97101812
3-[(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)amino]propan-1-ol
CID 43206577
3-[(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)amino]-2,2-dimethylpropan-1-ol
CID 115359037
4-[(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)amino]-3,3-dimethylbutan-1-ol
CID 103787626
3-[[[3-(4-methoxyphenyl)cyclobutyl]amino]methyl]-2-methyloxolan-3-ol
CID 106100153
6-methoxy-N-(2-methoxy-2-methylpropyl)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 115728733
1-cyclopropyl-2-[(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)amino]ethanol
CID 55172738
3-[[(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)amino]methyl]pentan-3-ol
CID 65105549
3-[[(1R)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]amino]propanenitrile
CID 28728583
7-methoxy-N-[(1-methylcyclobutyl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine
CID 103903212
methyl 4-[(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)amino]butanoate
CID 60782387

Frequently Asked Questions

What is the IUPAC name of 3-[[(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)amino]methyl]-2-methyloxolan-3-ol?
The IUPAC name of 3-[[(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)amino]methyl]-2-methyloxolan-3-ol (CID 107270752) is 3-[[(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)amino]methyl]-2-methyloxolan-3-ol.
What is the SMILES notation for 3-[[(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)amino]methyl]-2-methyloxolan-3-ol?
The canonical SMILES for 3-[[(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)amino]methyl]-2-methyloxolan-3-ol is COc1ccc2c(c1)CCCC2NCC1(O)CCOC1C.
What is the InChIKey of 3-[[(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)amino]methyl]-2-methyloxolan-3-ol?
The InChIKey is GXLGSIREKNEZMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO3/c1-12-17(19,8-9-21-12)11-18-16-5-3-4-13-10-14(20-2)6-7-15(13)16/h6-7,10,12,16,18-19H,3-5,8-9,11H2,1-2H3.
What are the key properties of 3-[[(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)amino]methyl]-2-methyloxolan-3-ol?
3-[[(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)amino]methyl]-2-methyloxolan-3-ol has a molecular weight of 291.39 g/mol, XLogP of 2.20, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)amino]methyl]-2-methyloxolan-3-ol is sourced from PubChem (CID 107270752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).