2-[(4,5-dimethoxy-2-methylphenyl)methylamino]-1-(2-methylphenyl)ethanol

C19H25NO3 — CID 111916640

IUPAC2-[(4,5-dimethoxy-2-methylphenyl)methylamino]-1-(2-methylphenyl)ethanol
SMILESCOc1cc(C)c(CNCC(O)c2ccccc2C)cc1OC
InChIInChI=1S/C19H25NO3/c1-13-7-5-6-8-16(13)17(21)12-20-11-15-10-19(23-4)18(22-3)9-14(15)2/h5-10,17,20-21H,11-12H2,1-4H3
InChIKeyZPBDEUXDMXIHJT-UHFFFAOYSA-N
MW315.41 g/mol
LogP3.14
Rot. Bonds7

About 2-[(4,5-dimethoxy-2-methylphenyl)methylamino]-1-(2-methylphenyl)ethanol

2-[(4,5-dimethoxy-2-methylphenyl)methylamino]-1-(2-methylphenyl)ethanol (PubChem CID 111916640) has the molecular formula C19H25NO3 and a molecular weight of 315.41 g/mol. Its IUPAC name is 2-[(4,5-dimethoxy-2-methylphenyl)methylamino]-1-(2-methylphenyl)ethanol.

Molecular Properties

Compound Name2-[(4,5-dimethoxy-2-methylphenyl)methylamino]-1-(2-methylphenyl)ethanol
PubChem CID111916640
Molecular FormulaC19H25NO3
Molecular Weight315.41 g/mol
Exact Mass315.18
IUPAC Name2-[(4,5-dimethoxy-2-methylphenyl)methylamino]-1-(2-methylphenyl)ethanol
SMILESCOc1cc(C)c(CNCC(O)c2ccccc2C)cc1OC
InChIInChI=1S/C19H25NO3/c1-13-7-5-6-8-16(13)17(21)12-20-11-15-10-19(23-4)18(22-3)9-14(15)2/h5-10,17,20-21H,11-12H2,1-4H3
InChIKeyZPBDEUXDMXIHJT-UHFFFAOYSA-N
XLogP3.14
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.41
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2-methoxyphenyl)methylamino]-1-(2-methylphenyl)ethanol
CID 111118595
1-(3,4-dimethoxyphenyl)-2-[(2-methylphenyl)methylamino]ethanol
CID 10851837
(1R)-1-(2,5-dimethoxyphenyl)-2-[(2,5-dimethoxyphenyl)methylamino]ethanol
CID 94809006
1-(4-fluoro-3-methylphenyl)-2-[(2-methoxyphenyl)methylamino]ethanol
CID 82315000
2-(benzylamino)-1-(2-methoxy-5-methylphenyl)ethanol
CID 60896859
methyl 4-[[[2-hydroxy-2-(2-methylphenyl)ethyl]amino]methyl]-1H-pyrrole-2-carboxylate
CID 111974653
1-(2-methoxy-5-methylphenyl)-2-[(4-methyl-3-pyridinyl)methylamino]ethanol
CID 114955325
1-(3-fluorophenyl)-2-[(2-methoxyphenyl)methylamino]ethanol
CID 60896885
(1S)-2-[(2-bromophenyl)methylamino]-1-(3,4-dimethoxyphenyl)ethanol
CID 129390967
1-(3-bromophenyl)-2-[(2-methoxyphenyl)methylamino]ethanol
CID 23647926
2-[(5-methylfuran-2-yl)methylamino]-1-(2-methylphenyl)ethanol
CID 111118617
N-[(4,5-dimethoxy-2-methylphenyl)methyl]-2-methylbutane-1,4-diamine
CID 115202575

Frequently Asked Questions

What is the IUPAC name of 2-[(4,5-dimethoxy-2-methylphenyl)methylamino]-1-(2-methylphenyl)ethanol?
The IUPAC name of 2-[(4,5-dimethoxy-2-methylphenyl)methylamino]-1-(2-methylphenyl)ethanol (CID 111916640) is 2-[(4,5-dimethoxy-2-methylphenyl)methylamino]-1-(2-methylphenyl)ethanol.
What is the SMILES notation for 2-[(4,5-dimethoxy-2-methylphenyl)methylamino]-1-(2-methylphenyl)ethanol?
The canonical SMILES for 2-[(4,5-dimethoxy-2-methylphenyl)methylamino]-1-(2-methylphenyl)ethanol is COc1cc(C)c(CNCC(O)c2ccccc2C)cc1OC.
What is the InChIKey of 2-[(4,5-dimethoxy-2-methylphenyl)methylamino]-1-(2-methylphenyl)ethanol?
The InChIKey is ZPBDEUXDMXIHJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO3/c1-13-7-5-6-8-16(13)17(21)12-20-11-15-10-19(23-4)18(22-3)9-14(15)2/h5-10,17,20-21H,11-12H2,1-4H3.
What are the key properties of 2-[(4,5-dimethoxy-2-methylphenyl)methylamino]-1-(2-methylphenyl)ethanol?
2-[(4,5-dimethoxy-2-methylphenyl)methylamino]-1-(2-methylphenyl)ethanol has a molecular weight of 315.41 g/mol, XLogP of 3.14, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4,5-dimethoxy-2-methylphenyl)methylamino]-1-(2-methylphenyl)ethanol is sourced from PubChem (CID 111916640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).