2-[(4,5-dimethoxy-2-methylphenyl)methyl-propan-2-ylamino]ethanol

C15H25NO3 — CID 60696434

IUPAC2-[(4,5-dimethoxy-2-methylphenyl)methyl-propan-2-ylamino]ethanol
SMILESCOc1cc(C)c(CN(CCO)C(C)C)cc1OC
InChIInChI=1S/C15H25NO3/c1-11(2)16(6-7-17)10-13-9-15(19-5)14(18-4)8-12(13)3/h8-9,11,17H,6-7,10H2,1-5H3
InChIKeyHIGHVLCTVJHYIL-UHFFFAOYSA-N
MW267.37 g/mol
LogP2.21
Rot. Bonds7

About 2-[(4,5-dimethoxy-2-methylphenyl)methyl-propan-2-ylamino]ethanol

2-[(4,5-dimethoxy-2-methylphenyl)methyl-propan-2-ylamino]ethanol (PubChem CID 60696434) has the molecular formula C15H25NO3 and a molecular weight of 267.37 g/mol. Its IUPAC name is 2-[(4,5-dimethoxy-2-methylphenyl)methyl-propan-2-ylamino]ethanol.

Molecular Properties

Compound Name2-[(4,5-dimethoxy-2-methylphenyl)methyl-propan-2-ylamino]ethanol
PubChem CID60696434
Molecular FormulaC15H25NO3
Molecular Weight267.37 g/mol
Exact Mass267.18
IUPAC Name2-[(4,5-dimethoxy-2-methylphenyl)methyl-propan-2-ylamino]ethanol
SMILESCOc1cc(C)c(CN(CCO)C(C)C)cc1OC
InChIInChI=1S/C15H25NO3/c1-11(2)16(6-7-17)10-13-9-15(19-5)14(18-4)8-12(13)3/h8-9,11,17H,6-7,10H2,1-5H3
InChIKeyHIGHVLCTVJHYIL-UHFFFAOYSA-N
XLogP2.21
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(5-fluoro-2-methylphenyl)methyl-propan-2-ylamino]ethanol
CID 115970192
3-[(4,5-dimethoxy-2-methylphenyl)methyl-methylamino]propan-1-ol
CID 115216939
1-[3-[[2-hydroxyethyl(propan-2-yl)amino]methyl]-4-methoxyphenyl]ethanone
CID 60691475
2-[(2-fluoro-3-methoxyphenyl)methyl-propan-2-ylamino]ethanol
CID 113453837
[(4,5-dimethoxy-2-methylphenyl)methyl-methylamino]methanol
CID 115229170
2-[(3-amino-4-methoxyphenyl)methyl-propan-2-ylamino]ethanol
CID 54995973
2-[(3-bromo-4-methoxyphenyl)methyl-propan-2-ylamino]ethanol
CID 60696343
2-[(2,5-difluorophenyl)methyl-propan-2-ylamino]ethanol
CID 62021731
N-[(4-methoxy-2,5-dimethylphenyl)methyl]-N-methylpropan-2-amine
CID 117044002
N-[2-(4,5-dimethoxy-2-methylphenyl)ethyl]propan-2-amine
CID 98015186
2-[(2-fluoro-5-methylphenyl)methyl-propan-2-ylamino]ethanol
CID 115880050
2-[[2-hydroxyethyl(propan-2-yl)amino]methyl]-6-methylphenol
CID 115903809

Frequently Asked Questions

What is the IUPAC name of 2-[(4,5-dimethoxy-2-methylphenyl)methyl-propan-2-ylamino]ethanol?
The IUPAC name of 2-[(4,5-dimethoxy-2-methylphenyl)methyl-propan-2-ylamino]ethanol (CID 60696434) is 2-[(4,5-dimethoxy-2-methylphenyl)methyl-propan-2-ylamino]ethanol.
What is the SMILES notation for 2-[(4,5-dimethoxy-2-methylphenyl)methyl-propan-2-ylamino]ethanol?
The canonical SMILES for 2-[(4,5-dimethoxy-2-methylphenyl)methyl-propan-2-ylamino]ethanol is COc1cc(C)c(CN(CCO)C(C)C)cc1OC.
What is the InChIKey of 2-[(4,5-dimethoxy-2-methylphenyl)methyl-propan-2-ylamino]ethanol?
The InChIKey is HIGHVLCTVJHYIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO3/c1-11(2)16(6-7-17)10-13-9-15(19-5)14(18-4)8-12(13)3/h8-9,11,17H,6-7,10H2,1-5H3.
What are the key properties of 2-[(4,5-dimethoxy-2-methylphenyl)methyl-propan-2-ylamino]ethanol?
2-[(4,5-dimethoxy-2-methylphenyl)methyl-propan-2-ylamino]ethanol has a molecular weight of 267.37 g/mol, XLogP of 2.21, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4,5-dimethoxy-2-methylphenyl)methyl-propan-2-ylamino]ethanol is sourced from PubChem (CID 60696434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).