2-[[3-[(dimethylamino)methyl]anilino]methyl]-5-methoxyphenol

C17H22N2O2 — CID 61261950

IUPAC2-[[3-[(dimethylamino)methyl]anilino]methyl]-5-methoxyphenol
SMILESCOc1ccc(CNc2cccc(CN(C)C)c2)c(O)c1
InChIInChI=1S/C17H22N2O2/c1-19(2)12-13-5-4-6-15(9-13)18-11-14-7-8-16(21-3)10-17(14)20/h4-10,18,20H,11-12H2,1-3H3
InChIKeyUFOHNYGGRAKGRJ-UHFFFAOYSA-N
MW286.38 g/mol
LogP3.07
Rot. Bonds6

About 2-[[3-[(dimethylamino)methyl]anilino]methyl]-5-methoxyphenol

2-[[3-[(dimethylamino)methyl]anilino]methyl]-5-methoxyphenol (PubChem CID 61261950) has the molecular formula C17H22N2O2 and a molecular weight of 286.38 g/mol. Its IUPAC name is 2-[[3-[(dimethylamino)methyl]anilino]methyl]-5-methoxyphenol.

Molecular Properties

Compound Name2-[[3-[(dimethylamino)methyl]anilino]methyl]-5-methoxyphenol
PubChem CID61261950
Molecular FormulaC17H22N2O2
Molecular Weight286.38 g/mol
Exact Mass286.17
IUPAC Name2-[[3-[(dimethylamino)methyl]anilino]methyl]-5-methoxyphenol
SMILESCOc1ccc(CNc2cccc(CN(C)C)c2)c(O)c1
InChIInChI=1S/C17H22N2O2/c1-19(2)12-13-5-4-6-15(9-13)18-11-14-7-8-16(21-3)10-17(14)20/h4-10,18,20H,11-12H2,1-3H3
InChIKeyUFOHNYGGRAKGRJ-UHFFFAOYSA-N
XLogP3.07
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

N-[(2-bromo-5-methoxyphenyl)methyl]-3-[(dimethylamino)methyl]aniline
CID 103827945
2-[(3-bromoanilino)methyl]-5-methoxyphenol
CID 61267663
4-[[3-(methoxymethyl)anilino]methyl]benzene-1,3-diol
CID 43672155
2-[(dimethylamino)methyl]-5-methoxyphenol
CID 18933640
4-chloro-2-[[3-[(dimethylamino)methyl]anilino]methyl]phenol
CID 43688843
2-[(4-fluoroanilino)methyl]-5-methoxyphenol
CID 61270048
2-[(3-fluoro-4-methoxyanilino)methyl]-5-methoxyphenol
CID 61263249
4-[(dimethylamino)methyl]-N-[(3-methoxyphenyl)methyl]aniline
CID 43747201
2-[(3-chloro-4-methoxyanilino)methyl]-5-methoxyphenol
CID 61268573
2-[(3-bromo-4-methylanilino)methyl]-5-methoxyphenol
CID 63333359
2-[[(2-hydroxy-3-phenylpropyl)amino]methyl]-5-methoxyphenol
CID 111104741
2-(ethylaminomethyl)-5-methoxyphenol
CID 39257600

Frequently Asked Questions

What is the IUPAC name of 2-[[3-[(dimethylamino)methyl]anilino]methyl]-5-methoxyphenol?
The IUPAC name of 2-[[3-[(dimethylamino)methyl]anilino]methyl]-5-methoxyphenol (CID 61261950) is 2-[[3-[(dimethylamino)methyl]anilino]methyl]-5-methoxyphenol.
What is the SMILES notation for 2-[[3-[(dimethylamino)methyl]anilino]methyl]-5-methoxyphenol?
The canonical SMILES for 2-[[3-[(dimethylamino)methyl]anilino]methyl]-5-methoxyphenol is COc1ccc(CNc2cccc(CN(C)C)c2)c(O)c1.
What is the InChIKey of 2-[[3-[(dimethylamino)methyl]anilino]methyl]-5-methoxyphenol?
The InChIKey is UFOHNYGGRAKGRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2/c1-19(2)12-13-5-4-6-15(9-13)18-11-14-7-8-16(21-3)10-17(14)20/h4-10,18,20H,11-12H2,1-3H3.
What are the key properties of 2-[[3-[(dimethylamino)methyl]anilino]methyl]-5-methoxyphenol?
2-[[3-[(dimethylamino)methyl]anilino]methyl]-5-methoxyphenol has a molecular weight of 286.38 g/mol, XLogP of 3.07, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-[(dimethylamino)methyl]anilino]methyl]-5-methoxyphenol is sourced from PubChem (CID 61261950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).