2-[1-(3-methoxy-N-methylanilino)ethyl]phenol

C16H19NO2 — CID 82982610

IUPAC2-[1-(3-methoxy-N-methylanilino)ethyl]phenol
SMILESCOc1cccc(N(C)C(C)c2ccccc2O)c1
InChIInChI=1S/C16H19NO2/c1-12(15-9-4-5-10-16(15)18)17(2)13-7-6-8-14(11-13)19-3/h4-12,18H,1-3H3
InChIKeyGJNNKBSTGVGXLR-UHFFFAOYSA-N
MW257.33 g/mol
LogP3.60
Rot. Bonds4

About 2-[1-(3-methoxy-N-methylanilino)ethyl]phenol

2-[1-(3-methoxy-N-methylanilino)ethyl]phenol (PubChem CID 82982610) has the molecular formula C16H19NO2 and a molecular weight of 257.33 g/mol. Its IUPAC name is 2-[1-(3-methoxy-N-methylanilino)ethyl]phenol.

Molecular Properties

Compound Name2-[1-(3-methoxy-N-methylanilino)ethyl]phenol
PubChem CID82982610
Molecular FormulaC16H19NO2
Molecular Weight257.33 g/mol
Exact Mass257.14
IUPAC Name2-[1-(3-methoxy-N-methylanilino)ethyl]phenol
SMILESCOc1cccc(N(C)C(C)c2ccccc2O)c1
InChIInChI=1S/C16H19NO2/c1-12(15-9-4-5-10-16(15)18)17(2)13-7-6-8-14(11-13)19-3/h4-12,18H,1-3H3
InChIKeyGJNNKBSTGVGXLR-UHFFFAOYSA-N
XLogP3.60
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 ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[1-(3-fluoro-N-methylanilino)ethyl]phenol
CID 82978399
2-[1-(N,3-dimethylanilino)ethyl]-4-methylphenol
CID 82978827
2-[1-(4-ethyl-N-methylanilino)ethyl]-5-methoxyphenol
CID 82957371
5-fluoro-2-[1-(4-methoxy-N-methylanilino)ethyl]phenol
CID 82978158
tert-butyl 2-(3-methoxy-N-methylanilino)propanoate
CID 66337235
methyl N-[1-(2-hydroxyphenyl)ethyl]-N-methylcarbamate
CID 61044422
1-methoxy-3-[methyl(sulfamoyl)amino]benzene
CID 112573732
4-bromo-2-[1-(N-methylanilino)ethyl]phenol
CID 82974570
3-methoxy-N,N-disilylaniline
CID 149149494
2-(3-methoxy-N-methylanilino)butanedioic acid
CID 115144348
2-(2-hydroxyphenyl)-N-(3-methoxyphenyl)-N-methylacetamide
CID 80740880
propan-2-yl N-(3-methoxyphenyl)-N-methylcarbamate
CID 116655313

Frequently Asked Questions

What is the IUPAC name of 2-[1-(3-methoxy-N-methylanilino)ethyl]phenol?
The IUPAC name of 2-[1-(3-methoxy-N-methylanilino)ethyl]phenol (CID 82982610) is 2-[1-(3-methoxy-N-methylanilino)ethyl]phenol.
What is the SMILES notation for 2-[1-(3-methoxy-N-methylanilino)ethyl]phenol?
The canonical SMILES for 2-[1-(3-methoxy-N-methylanilino)ethyl]phenol is COc1cccc(N(C)C(C)c2ccccc2O)c1.
What is the InChIKey of 2-[1-(3-methoxy-N-methylanilino)ethyl]phenol?
The InChIKey is GJNNKBSTGVGXLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO2/c1-12(15-9-4-5-10-16(15)18)17(2)13-7-6-8-14(11-13)19-3/h4-12,18H,1-3H3.
What are the key properties of 2-[1-(3-methoxy-N-methylanilino)ethyl]phenol?
2-[1-(3-methoxy-N-methylanilino)ethyl]phenol has a molecular weight of 257.33 g/mol, XLogP of 3.60, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3-methoxy-N-methylanilino)ethyl]phenol is sourced from PubChem (CID 82982610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).