2-methoxy-5-[(4-methoxy-N-methylanilino)methyl]phenol

C16H19NO3 — CID 82978512

IUPAC2-methoxy-5-[(4-methoxy-N-methylanilino)methyl]phenol
SMILESCOc1ccc(N(C)Cc2ccc(OC)c(O)c2)cc1
InChIInChI=1S/C16H19NO3/c1-17(13-5-7-14(19-2)8-6-13)11-12-4-9-16(20-3)15(18)10-12/h4-10,18H,11H2,1-3H3
InChIKeyZXDLHLVSNYEBID-UHFFFAOYSA-N
MW273.33 g/mol
LogP3.05
Rot. Bonds5

About 2-methoxy-5-[(4-methoxy-N-methylanilino)methyl]phenol

2-methoxy-5-[(4-methoxy-N-methylanilino)methyl]phenol (PubChem CID 82978512) has the molecular formula C16H19NO3 and a molecular weight of 273.33 g/mol. Its IUPAC name is 2-methoxy-5-[(4-methoxy-N-methylanilino)methyl]phenol.

Molecular Properties

Compound Name2-methoxy-5-[(4-methoxy-N-methylanilino)methyl]phenol
PubChem CID82978512
Molecular FormulaC16H19NO3
Molecular Weight273.33 g/mol
Exact Mass273.14
IUPAC Name2-methoxy-5-[(4-methoxy-N-methylanilino)methyl]phenol
SMILESCOc1ccc(N(C)Cc2ccc(OC)c(O)c2)cc1
InChIInChI=1S/C16H19NO3/c1-17(13-5-7-14(19-2)8-6-13)11-12-4-9-16(20-3)15(18)10-12/h4-10,18H,11H2,1-3H3
InChIKeyZXDLHLVSNYEBID-UHFFFAOYSA-N
XLogP3.05
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.33
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

5-[(4-methoxy-N-methylanilino)methyl]-2-methylaniline
CID 62003414
4-methoxy-2-[(4-methoxy-N-methylanilino)methyl]phenol
CID 82978580
2-methoxy-5-[[methyl-(6-methyl-2-pyridinyl)amino]methyl]phenol
CID 91651296
5-methoxy-2-[(4-methoxy-N-methylanilino)methyl]phenol
CID 82978581
4-[(4-methoxy-N-methylanilino)methyl]-N-methylaniline
CID 115212693
2-methoxy-5-[[methyl(4-methylpentan-2-yl)amino]methyl]phenol
CID 82985643
4-[(4-methoxyphenyl)methyl-methylamino]benzoic acid
CID 39369991
N-[(3,4-dimethoxyphenyl)methyl]-N-methylpyridin-4-amine
CID 154730251
2-[(3-hydroxy-4-methoxyphenyl)methyl-methylamino]-N,N-dimethylacetamide
CID 79833184
4-(aminomethyl)-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methylaniline
CID 43275566
(3-hydroxy-4-methoxyphenyl)methyl-methylazanide
CID 59297645
2-methoxy-5-[(4-methoxyphenyl)methylamino]phenol
CID 43743650

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-5-[(4-methoxy-N-methylanilino)methyl]phenol?
The IUPAC name of 2-methoxy-5-[(4-methoxy-N-methylanilino)methyl]phenol (CID 82978512) is 2-methoxy-5-[(4-methoxy-N-methylanilino)methyl]phenol.
What is the SMILES notation for 2-methoxy-5-[(4-methoxy-N-methylanilino)methyl]phenol?
The canonical SMILES for 2-methoxy-5-[(4-methoxy-N-methylanilino)methyl]phenol is COc1ccc(N(C)Cc2ccc(OC)c(O)c2)cc1.
What is the InChIKey of 2-methoxy-5-[(4-methoxy-N-methylanilino)methyl]phenol?
The InChIKey is ZXDLHLVSNYEBID-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO3/c1-17(13-5-7-14(19-2)8-6-13)11-12-4-9-16(20-3)15(18)10-12/h4-10,18H,11H2,1-3H3.
What are the key properties of 2-methoxy-5-[(4-methoxy-N-methylanilino)methyl]phenol?
2-methoxy-5-[(4-methoxy-N-methylanilino)methyl]phenol has a molecular weight of 273.33 g/mol, XLogP of 3.05, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-5-[(4-methoxy-N-methylanilino)methyl]phenol is sourced from PubChem (CID 82978512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).