2-methoxy-4-[[(2-methyl-1-phenylpropyl)amino]methyl]phenol

C18H23NO2 — CID 43225616

IUPAC2-methoxy-4-[[(2-methyl-1-phenylpropyl)amino]methyl]phenol
SMILESCOc1cc(CNC(c2ccccc2)C(C)C)ccc1O
InChIInChI=1S/C18H23NO2/c1-13(2)18(15-7-5-4-6-8-15)19-12-14-9-10-16(20)17(11-14)21-3/h4-11,13,18-20H,12H2,1-3H3
InChIKeyTVHZVNANWGSSSY-UHFFFAOYSA-N
MW285.39 g/mol
LogP3.89
Rot. Bonds6

About 2-methoxy-4-[[(2-methyl-1-phenylpropyl)amino]methyl]phenol

2-methoxy-4-[[(2-methyl-1-phenylpropyl)amino]methyl]phenol (PubChem CID 43225616) has the molecular formula C18H23NO2 and a molecular weight of 285.39 g/mol. Its IUPAC name is 2-methoxy-4-[[(2-methyl-1-phenylpropyl)amino]methyl]phenol.

Molecular Properties

Compound Name2-methoxy-4-[[(2-methyl-1-phenylpropyl)amino]methyl]phenol
PubChem CID43225616
Molecular FormulaC18H23NO2
Molecular Weight285.39 g/mol
Exact Mass285.17
IUPAC Name2-methoxy-4-[[(2-methyl-1-phenylpropyl)amino]methyl]phenol
SMILESCOc1cc(CNC(c2ccccc2)C(C)C)ccc1O
InChIInChI=1S/C18H23NO2/c1-13(2)18(15-7-5-4-6-8-15)19-12-14-9-10-16(20)17(11-14)21-3/h4-11,13,18-20H,12H2,1-3H3
InChIKeyTVHZVNANWGSSSY-UHFFFAOYSA-N
XLogP3.89
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-methoxy-4-[[[(1S)-1-(2-methoxyphenyl)ethyl]amino]methyl]phenol
CID 28624338
2-methoxy-4-[[[(1R)-1-(3-methylphenyl)ethyl]amino]methyl]phenol
CID 81364019
N-ethyl-2-[2-methoxy-4-[[(2-methyl-1-phenylpropyl)amino]methyl]phenoxy]acetamide
CID 86908275
4-[[(1-hydroxy-4-methylpentan-3-yl)amino]methyl]-2-methoxyphenol
CID 113357900
2-methoxy-4-[[1-(2-methylphenyl)ethylamino]methyl]phenol
CID 43181528
2-methoxy-4-[[[(1S)-1-(4-methylphenyl)ethyl]amino]methyl]phenol
CID 81348669
4-[[[(1S)-1-(4-bromophenyl)ethyl]amino]methyl]-2-methoxyphenol
CID 81353611
2,6-dimethoxy-4-[[[(1R)-1-phenylethyl]amino]methyl]phenol
CID 7154257
2-[[(2-methyl-1-phenylpropyl)amino]methyl]phenol;hydrochloride
CID 51117351
2-[(4-hydroxy-3-methoxyphenyl)methylamino]butanoic acid
CID 82364241
N-[(3-fluoro-4-methylphenyl)methyl]-2-methyl-1-phenylpropan-1-amine
CID 63644521
2-[(3,4-dimethoxyphenyl)methylamino]-1-phenylpropan-1-ol;hydrochloride
CID 12999288

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-4-[[(2-methyl-1-phenylpropyl)amino]methyl]phenol?
The IUPAC name of 2-methoxy-4-[[(2-methyl-1-phenylpropyl)amino]methyl]phenol (CID 43225616) is 2-methoxy-4-[[(2-methyl-1-phenylpropyl)amino]methyl]phenol.
What is the SMILES notation for 2-methoxy-4-[[(2-methyl-1-phenylpropyl)amino]methyl]phenol?
The canonical SMILES for 2-methoxy-4-[[(2-methyl-1-phenylpropyl)amino]methyl]phenol is COc1cc(CNC(c2ccccc2)C(C)C)ccc1O.
What is the InChIKey of 2-methoxy-4-[[(2-methyl-1-phenylpropyl)amino]methyl]phenol?
The InChIKey is TVHZVNANWGSSSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO2/c1-13(2)18(15-7-5-4-6-8-15)19-12-14-9-10-16(20)17(11-14)21-3/h4-11,13,18-20H,12H2,1-3H3.
What are the key properties of 2-methoxy-4-[[(2-methyl-1-phenylpropyl)amino]methyl]phenol?
2-methoxy-4-[[(2-methyl-1-phenylpropyl)amino]methyl]phenol has a molecular weight of 285.39 g/mol, XLogP of 3.89, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-4-[[(2-methyl-1-phenylpropyl)amino]methyl]phenol is sourced from PubChem (CID 43225616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).