1-(2-methoxy-5-methylphenyl)-2-(7-oxabicyclo[2.2.1]heptan-2-ylamino)ethanol

C16H23NO3 — CID 80719513

IUPAC1-(2-methoxy-5-methylphenyl)-2-(7-oxabicyclo[2.2.1]heptan-2-ylamino)ethanol
SMILESCOc1ccc(C)cc1C(O)CNC1CC2CCC1O2
InChIInChI=1S/C16H23NO3/c1-10-3-5-15(19-2)12(7-10)14(18)9-17-13-8-11-4-6-16(13)20-11/h3,5,7,11,13-14,16-18H,4,6,8-9H2,1-2H3
InChIKeyMVYMZHHCYJUQPN-UHFFFAOYSA-N
MW277.36 g/mol
LogP1.95
Rot. Bonds5

About 1-(2-methoxy-5-methylphenyl)-2-(7-oxabicyclo[2.2.1]heptan-2-ylamino)ethanol

1-(2-methoxy-5-methylphenyl)-2-(7-oxabicyclo[2.2.1]heptan-2-ylamino)ethanol (PubChem CID 80719513) has the molecular formula C16H23NO3 and a molecular weight of 277.36 g/mol. Its IUPAC name is 1-(2-methoxy-5-methylphenyl)-2-(7-oxabicyclo[2.2.1]heptan-2-ylamino)ethanol.

Molecular Properties

Compound Name1-(2-methoxy-5-methylphenyl)-2-(7-oxabicyclo[2.2.1]heptan-2-ylamino)ethanol
PubChem CID80719513
Molecular FormulaC16H23NO3
Molecular Weight277.36 g/mol
Exact Mass277.17
IUPAC Name1-(2-methoxy-5-methylphenyl)-2-(7-oxabicyclo[2.2.1]heptan-2-ylamino)ethanol
SMILESCOc1ccc(C)cc1C(O)CNC1CC2CCC1O2
InChIInChI=1S/C16H23NO3/c1-10-3-5-15(19-2)12(7-10)14(18)9-17-13-8-11-4-6-16(13)20-11/h3,5,7,11,13-14,16-18H,4,6,8-9H2,1-2H3
InChIKeyMVYMZHHCYJUQPN-UHFFFAOYSA-N
XLogP1.95
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.36
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-(2-methoxy-5-methylphenyl)-2-(7-oxabicyclo[2.2.1]heptan-2-ylamino)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

1-(2-methoxy-5-methylphenyl)-2-[(3-methylcyclopentyl)amino]ethanol
CID 114545638
2-[(1,1-dioxothian-4-yl)amino]-1-(2-methoxy-5-methylphenyl)ethanol
CID 60910310
3-[[2-hydroxy-2-(2-methoxy-5-methylphenyl)ethyl]amino]-1-methylpyrrolidin-2-one
CID 106256675
N-[(4-ethoxy-3-methoxyphenyl)methyl]-7-oxabicyclo[2.2.1]heptan-2-amine
CID 80601702
2-(tert-butylamino)-1-(2-methoxy-5-methylphenyl)ethanol
CID 60901325
2-(3,5-dimethylcyclohexyl)oxy-1-(2-methoxy-5-methylphenyl)ethanol
CID 64728823
1-(2-methoxy-5-methylphenyl)-2-(oxolan-3-yloxy)ethanol
CID 63558284
1-[[2-hydroxy-2-(2-methoxy-5-methylphenyl)ethyl]amino]-2-methylpropan-2-ol
CID 65106127
2-(cyclopropylamino)-1-(5-fluoro-2-methoxyphenyl)ethanol
CID 79017552
1-(2-methoxy-5-methylphenyl)-2-[(4-methylpiperazin-1-yl)amino]ethanol
CID 83021665
N-[(2-bromo-4,5-dimethoxyphenyl)methyl]-7-oxabicyclo[2.2.1]heptan-2-amine
CID 80601911
2-(benzylamino)-1-(2-methoxy-5-methylphenyl)ethanol
CID 60896859

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxy-5-methylphenyl)-2-(7-oxabicyclo[2.2.1]heptan-2-ylamino)ethanol?
The IUPAC name of 1-(2-methoxy-5-methylphenyl)-2-(7-oxabicyclo[2.2.1]heptan-2-ylamino)ethanol (CID 80719513) is 1-(2-methoxy-5-methylphenyl)-2-(7-oxabicyclo[2.2.1]heptan-2-ylamino)ethanol.
What is the SMILES notation for 1-(2-methoxy-5-methylphenyl)-2-(7-oxabicyclo[2.2.1]heptan-2-ylamino)ethanol?
The canonical SMILES for 1-(2-methoxy-5-methylphenyl)-2-(7-oxabicyclo[2.2.1]heptan-2-ylamino)ethanol is COc1ccc(C)cc1C(O)CNC1CC2CCC1O2.
What is the InChIKey of 1-(2-methoxy-5-methylphenyl)-2-(7-oxabicyclo[2.2.1]heptan-2-ylamino)ethanol?
The InChIKey is MVYMZHHCYJUQPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO3/c1-10-3-5-15(19-2)12(7-10)14(18)9-17-13-8-11-4-6-16(13)20-11/h3,5,7,11,13-14,16-18H,4,6,8-9H2,1-2H3.
What are the key properties of 1-(2-methoxy-5-methylphenyl)-2-(7-oxabicyclo[2.2.1]heptan-2-ylamino)ethanol?
1-(2-methoxy-5-methylphenyl)-2-(7-oxabicyclo[2.2.1]heptan-2-ylamino)ethanol has a molecular weight of 277.36 g/mol, XLogP of 1.95, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxy-5-methylphenyl)-2-(7-oxabicyclo[2.2.1]heptan-2-ylamino)ethanol is sourced from PubChem (CID 80719513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).