2,6-dimethoxy-4-[[(2-methylphenyl)methylamino]methyl]phenol

C17H21NO3 — CID 60657941

IUPAC2,6-dimethoxy-4-[[(2-methylphenyl)methylamino]methyl]phenol
SMILESCOc1cc(CNCc2ccccc2C)cc(OC)c1O
InChIInChI=1S/C17H21NO3/c1-12-6-4-5-7-14(12)11-18-10-13-8-15(20-2)17(19)16(9-13)21-3/h4-9,18-19H,10-11H2,1-3H3
InChIKeyNWNPRSAXENHYKT-UHFFFAOYSA-N
MW287.36 g/mol
LogP3.01
Rot. Bonds6

About 2,6-dimethoxy-4-[[(2-methylphenyl)methylamino]methyl]phenol

2,6-dimethoxy-4-[[(2-methylphenyl)methylamino]methyl]phenol (PubChem CID 60657941) has the molecular formula C17H21NO3 and a molecular weight of 287.36 g/mol. Its IUPAC name is 2,6-dimethoxy-4-[[(2-methylphenyl)methylamino]methyl]phenol.

Molecular Properties

Compound Name2,6-dimethoxy-4-[[(2-methylphenyl)methylamino]methyl]phenol
PubChem CID60657941
Molecular FormulaC17H21NO3
Molecular Weight287.36 g/mol
Exact Mass287.15
IUPAC Name2,6-dimethoxy-4-[[(2-methylphenyl)methylamino]methyl]phenol
SMILESCOc1cc(CNCc2ccccc2C)cc(OC)c1O
InChIInChI=1S/C17H21NO3/c1-12-6-4-5-7-14(12)11-18-10-13-8-15(20-2)17(19)16(9-13)21-3/h4-9,18-19H,10-11H2,1-3H3
InChIKeyNWNPRSAXENHYKT-UHFFFAOYSA-N
XLogP3.01
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-bromo-4-[[(2-chlorophenyl)methylamino]methyl]-6-methoxyphenol
CID 29292955
2-[[(2-methylphenyl)methylamino]methyl]phenol
CID 60912930
5-methoxy-2-[[(2-methylphenyl)methylamino]methyl]phenol
CID 61262143
1-(2,4-dimethoxyphenyl)-N-[(2-methylphenyl)methyl]methanamine
CID 39370180
4-[[(2-methylphenyl)methylamino]methyl]phenol
CID 39247073
1-(4-heptoxy-3-methoxyphenyl)-N-[(2-methylphenyl)methyl]methanamine
CID 54803633
1-(2-fluoro-3-methoxyphenyl)-N-[(2-methylphenyl)methyl]methanamine
CID 104791604
N-[[3-methoxy-4-[(2-methylphenyl)methoxy]phenyl]methyl]-1-(4-methoxyphenyl)methanamine
CID 4724176
1-(2-ethylphenyl)-N-[(3,4,5-trimethoxyphenyl)methyl]methanamine
CID 119137895
4-[(furan-2-ylmethylamino)methyl]-2,6-dimethoxyphenol;hydrochloride
CID 24746812
2-(3,4-dimethoxyphenyl)-N-[(2-methylphenyl)methyl]ethanamine;oxalic acid
CID 17367721
1-(4-methylphenyl)-N-[(2-methylphenyl)methyl]methanamine
CID 4724057

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethoxy-4-[[(2-methylphenyl)methylamino]methyl]phenol?
The IUPAC name of 2,6-dimethoxy-4-[[(2-methylphenyl)methylamino]methyl]phenol (CID 60657941) is 2,6-dimethoxy-4-[[(2-methylphenyl)methylamino]methyl]phenol.
What is the SMILES notation for 2,6-dimethoxy-4-[[(2-methylphenyl)methylamino]methyl]phenol?
The canonical SMILES for 2,6-dimethoxy-4-[[(2-methylphenyl)methylamino]methyl]phenol is COc1cc(CNCc2ccccc2C)cc(OC)c1O.
What is the InChIKey of 2,6-dimethoxy-4-[[(2-methylphenyl)methylamino]methyl]phenol?
The InChIKey is NWNPRSAXENHYKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO3/c1-12-6-4-5-7-14(12)11-18-10-13-8-15(20-2)17(19)16(9-13)21-3/h4-9,18-19H,10-11H2,1-3H3.
What are the key properties of 2,6-dimethoxy-4-[[(2-methylphenyl)methylamino]methyl]phenol?
2,6-dimethoxy-4-[[(2-methylphenyl)methylamino]methyl]phenol has a molecular weight of 287.36 g/mol, XLogP of 3.01, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethoxy-4-[[(2-methylphenyl)methylamino]methyl]phenol is sourced from PubChem (CID 60657941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).