5-[(N-ethyl-3-methylanilino)methyl]-2-methoxyphenol

C17H21NO2 — CID 82981487

IUPAC5-[(N-ethyl-3-methylanilino)methyl]-2-methoxyphenol
SMILESCCN(Cc1ccc(OC)c(O)c1)c1cccc(C)c1
InChIInChI=1S/C17H21NO2/c1-4-18(15-7-5-6-13(2)10-15)12-14-8-9-17(20-3)16(19)11-14/h5-11,19H,4,12H2,1-3H3
InChIKeyPTNVDPCIHFUXBJ-UHFFFAOYSA-N
MW271.36 g/mol
LogP3.74
Rot. Bonds5

About 5-[(N-ethyl-3-methylanilino)methyl]-2-methoxyphenol

5-[(N-ethyl-3-methylanilino)methyl]-2-methoxyphenol (PubChem CID 82981487) has the molecular formula C17H21NO2 and a molecular weight of 271.36 g/mol. Its IUPAC name is 5-[(N-ethyl-3-methylanilino)methyl]-2-methoxyphenol.

Molecular Properties

Compound Name5-[(N-ethyl-3-methylanilino)methyl]-2-methoxyphenol
PubChem CID82981487
Molecular FormulaC17H21NO2
Molecular Weight271.36 g/mol
Exact Mass271.16
IUPAC Name5-[(N-ethyl-3-methylanilino)methyl]-2-methoxyphenol
SMILESCCN(Cc1ccc(OC)c(O)c1)c1cccc(C)c1
InChIInChI=1S/C17H21NO2/c1-4-18(15-7-5-6-13(2)10-15)12-14-8-9-17(20-3)16(19)11-14/h5-11,19H,4,12H2,1-3H3
InChIKeyPTNVDPCIHFUXBJ-UHFFFAOYSA-N
XLogP3.74
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-[(N-ethyl-3-methylanilino)methyl]-2-methoxyphenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[(N-ethyl-3-methylanilino)methyl]-2-methoxybenzonitrile
CID 65344258
N-ethyl-N-[[4-[(N-ethyl-3-methylanilino)methyl]phenyl]methyl]-3-methylaniline
CID 23342282
4-[(N-ethyl-3-methylanilino)methyl]phenol
CID 82973646
4-[(N-ethyl-3-methylanilino)methyl]-2,6-dimethylphenol
CID 82981488
4-[(N-ethyl-3,4-dimethoxyanilino)methyl]phenol
CID 175433154
N-[(3-bromo-4-methoxyphenyl)methyl]-N-ethyl-4-methylaniline
CID 63456998
2-methoxy-5-[[methyl-(6-methyl-2-pyridinyl)amino]methyl]phenol
CID 91651296
2-[(N-ethyl-3-methylanilino)methyl]-6-methylpyridin-3-ol
CID 82981868
5-[(N,3-dimethylanilino)methyl]-2-methoxybenzoic acid
CID 65339079
3-hydroxy-4-methoxy-N-methyl-N-(3-methylphenyl)benzamide
CID 79726183
2-methoxy-5-[[methyl(4-methylpentan-2-yl)amino]methyl]phenol
CID 82985643
2-bromo-4-[(N-ethyl-3-fluoroanilino)methyl]-6-methoxyphenol
CID 82958995

Frequently Asked Questions

What is the IUPAC name of 5-[(N-ethyl-3-methylanilino)methyl]-2-methoxyphenol?
The IUPAC name of 5-[(N-ethyl-3-methylanilino)methyl]-2-methoxyphenol (CID 82981487) is 5-[(N-ethyl-3-methylanilino)methyl]-2-methoxyphenol.
What is the SMILES notation for 5-[(N-ethyl-3-methylanilino)methyl]-2-methoxyphenol?
The canonical SMILES for 5-[(N-ethyl-3-methylanilino)methyl]-2-methoxyphenol is CCN(Cc1ccc(OC)c(O)c1)c1cccc(C)c1.
What is the InChIKey of 5-[(N-ethyl-3-methylanilino)methyl]-2-methoxyphenol?
The InChIKey is PTNVDPCIHFUXBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO2/c1-4-18(15-7-5-6-13(2)10-15)12-14-8-9-17(20-3)16(19)11-14/h5-11,19H,4,12H2,1-3H3.
What are the key properties of 5-[(N-ethyl-3-methylanilino)methyl]-2-methoxyphenol?
5-[(N-ethyl-3-methylanilino)methyl]-2-methoxyphenol has a molecular weight of 271.36 g/mol, XLogP of 3.74, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(N-ethyl-3-methylanilino)methyl]-2-methoxyphenol is sourced from PubChem (CID 82981487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).