[2-[(2,4-dimethoxyphenyl)methylamino]phenyl]methanol

C16H19NO3 — CID 43743131

IUPAC[2-[(2,4-dimethoxyphenyl)methylamino]phenyl]methanol
SMILESCOc1ccc(CNc2ccccc2CO)c(OC)c1
InChIInChI=1S/C16H19NO3/c1-19-14-8-7-12(16(9-14)20-2)10-17-15-6-4-3-5-13(15)11-18/h3-9,17-18H,10-11H2,1-2H3
InChIKeyCVUYWBKKJAUFAY-UHFFFAOYSA-N
MW273.33 g/mol
LogP2.81
Rot. Bonds6

About [2-[(2,4-dimethoxyphenyl)methylamino]phenyl]methanol

[2-[(2,4-dimethoxyphenyl)methylamino]phenyl]methanol (PubChem CID 43743131) has the molecular formula C16H19NO3 and a molecular weight of 273.33 g/mol. Its IUPAC name is [2-[(2,4-dimethoxyphenyl)methylamino]phenyl]methanol.

Molecular Properties

Compound Name[2-[(2,4-dimethoxyphenyl)methylamino]phenyl]methanol
PubChem CID43743131
Molecular FormulaC16H19NO3
Molecular Weight273.33 g/mol
Exact Mass273.14
IUPAC Name[2-[(2,4-dimethoxyphenyl)methylamino]phenyl]methanol
SMILESCOc1ccc(CNc2ccccc2CO)c(OC)c1
InChIInChI=1S/C16H19NO3/c1-19-14-8-7-12(16(9-14)20-2)10-17-15-6-4-3-5-13(15)11-18/h3-9,17-18H,10-11H2,1-2H3
InChIKeyCVUYWBKKJAUFAY-UHFFFAOYSA-N
XLogP2.81
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.33
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2,4-dimethoxyphenyl)methyl]-2,4-dimethoxyaniline
CID 39427088
[2-[(2-bromo-4,5-dimethoxyphenyl)methylamino]phenyl]methanol
CID 43229655
2-[[(2,4-dimethoxyphenyl)methylamino]methyl]phenol
CID 62732592
2-[(2,4-dimethoxyanilino)methyl]-5-methoxyphenol
CID 61268572
(S)-chloro-(2-chlorophenyl)-[2-[(2,4-dimethoxyphenyl)methylamino]phenyl]methanol
CID 67879435
N-[(2,4-dimethoxyphenyl)methyl]-4-methoxyaniline
CID 11587152
N-[(2-aminophenyl)methyl]-2,4-dimethoxyaniline
CID 66385425
N-[(2,4-dimethoxyphenyl)methyl]-2,5-dimethylaniline
CID 775191
5-bromo-N-[(2,4-dimethoxyphenyl)methyl]-2-methoxyaniline
CID 61061133
2-[(2,4-dimethoxyanilino)methyl]benzamide
CID 28570532
1-(2,4-dimethoxyphenyl)-N-[(2-methylphenyl)methyl]methanamine
CID 39370180
2,5-dibromo-N-[(2,4-dimethoxyphenyl)methyl]aniline
CID 43736641

Frequently Asked Questions

What is the IUPAC name of [2-[(2,4-dimethoxyphenyl)methylamino]phenyl]methanol?
The IUPAC name of [2-[(2,4-dimethoxyphenyl)methylamino]phenyl]methanol (CID 43743131) is [2-[(2,4-dimethoxyphenyl)methylamino]phenyl]methanol.
What is the SMILES notation for [2-[(2,4-dimethoxyphenyl)methylamino]phenyl]methanol?
The canonical SMILES for [2-[(2,4-dimethoxyphenyl)methylamino]phenyl]methanol is COc1ccc(CNc2ccccc2CO)c(OC)c1.
What is the InChIKey of [2-[(2,4-dimethoxyphenyl)methylamino]phenyl]methanol?
The InChIKey is CVUYWBKKJAUFAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO3/c1-19-14-8-7-12(16(9-14)20-2)10-17-15-6-4-3-5-13(15)11-18/h3-9,17-18H,10-11H2,1-2H3.
What are the key properties of [2-[(2,4-dimethoxyphenyl)methylamino]phenyl]methanol?
[2-[(2,4-dimethoxyphenyl)methylamino]phenyl]methanol has a molecular weight of 273.33 g/mol, XLogP of 2.81, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(2,4-dimethoxyphenyl)methylamino]phenyl]methanol is sourced from PubChem (CID 43743131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).