4-[(3-methoxy-2-methylphenyl)methyl-methylamino]phenol

C16H19NO2 — CID 168969761

IUPAC4-[(3-methoxy-2-methylphenyl)methyl-methylamino]phenol
SMILESCOc1cccc(CN(C)c2ccc(O)cc2)c1C
InChIInChI=1S/C16H19NO2/c1-12-13(5-4-6-16(12)19-3)11-17(2)14-7-9-15(18)10-8-14/h4-10,18H,11H2,1-3H3
InChIKeyQNFUYTZPCUGNKV-UHFFFAOYSA-N
MW257.33 g/mol
LogP3.35
Rot. Bonds4

About 4-[(3-methoxy-2-methylphenyl)methyl-methylamino]phenol

4-[(3-methoxy-2-methylphenyl)methyl-methylamino]phenol (PubChem CID 168969761) has the molecular formula C16H19NO2 and a molecular weight of 257.33 g/mol. Its IUPAC name is 4-[(3-methoxy-2-methylphenyl)methyl-methylamino]phenol.

Molecular Properties

Compound Name4-[(3-methoxy-2-methylphenyl)methyl-methylamino]phenol
PubChem CID168969761
Molecular FormulaC16H19NO2
Molecular Weight257.33 g/mol
Exact Mass257.14
IUPAC Name4-[(3-methoxy-2-methylphenyl)methyl-methylamino]phenol
SMILESCOc1cccc(CN(C)c2ccc(O)cc2)c1C
InChIInChI=1S/C16H19NO2/c1-12-13(5-4-6-16(12)19-3)11-17(2)14-7-9-15(18)10-8-14/h4-10,18H,11H2,1-3H3
InChIKeyQNFUYTZPCUGNKV-UHFFFAOYSA-N
XLogP3.35
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(3-methoxy-2-methylphenyl)methyl]-1-methylhydrazine
CID 119090080
4-[(5-amino-2-methoxyphenyl)methyl-methylamino]phenol
CID 107733778
2-(3-methoxy-2-methylphenyl)-N,N-dimethylacetamide
CID 121016369
4-[(2-methoxyphenyl)methyl-methylamino]benzenecarbothioamide
CID 61418085
2-(3-methoxy-2-methylphenyl)acetamide
CID 141044512
4-bromo-3-[(4-methoxy-N-methylanilino)methyl]phenol
CID 82978304
5-methoxy-2-[(4-methoxy-N-methylanilino)methyl]phenol
CID 82978581
1-[2-amino-5-[(2-methoxyphenyl)methyl-methylamino]phenyl]ethanone
CID 104612473
5-[(2-methoxyphenyl)methyl-methylamino]pyridine-2-carbonitrile
CID 79838727
2-[2-[(4-hydroxy-N-methylanilino)methyl]phenyl]acetohydrazide
CID 115465315
2-(3-methoxy-2-methylphenyl)acetaldehyde
CID 144630578
4-methoxy-2-[(4-methoxy-N-methylanilino)methyl]phenol
CID 82978580

Frequently Asked Questions

What is the IUPAC name of 4-[(3-methoxy-2-methylphenyl)methyl-methylamino]phenol?
The IUPAC name of 4-[(3-methoxy-2-methylphenyl)methyl-methylamino]phenol (CID 168969761) is 4-[(3-methoxy-2-methylphenyl)methyl-methylamino]phenol.
What is the SMILES notation for 4-[(3-methoxy-2-methylphenyl)methyl-methylamino]phenol?
The canonical SMILES for 4-[(3-methoxy-2-methylphenyl)methyl-methylamino]phenol is COc1cccc(CN(C)c2ccc(O)cc2)c1C.
What is the InChIKey of 4-[(3-methoxy-2-methylphenyl)methyl-methylamino]phenol?
The InChIKey is QNFUYTZPCUGNKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO2/c1-12-13(5-4-6-16(12)19-3)11-17(2)14-7-9-15(18)10-8-14/h4-10,18H,11H2,1-3H3.
What are the key properties of 4-[(3-methoxy-2-methylphenyl)methyl-methylamino]phenol?
4-[(3-methoxy-2-methylphenyl)methyl-methylamino]phenol has a molecular weight of 257.33 g/mol, XLogP of 3.35, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-methoxy-2-methylphenyl)methyl-methylamino]phenol is sourced from PubChem (CID 168969761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).