2-[(2-chloro-4-methylanilino)methyl]-6-ethoxyphenol

C16H18ClNO2 — CID 28967743

IUPAC2-[(2-chloro-4-methylanilino)methyl]-6-ethoxyphenol
SMILESCCOc1cccc(CNc2ccc(C)cc2Cl)c1O
InChIInChI=1S/C16H18ClNO2/c1-3-20-15-6-4-5-12(16(15)19)10-18-14-8-7-11(2)9-13(14)17/h4-9,18-19H,3,10H2,1-2H3
InChIKeyKLYZUBTYIBBNLS-UHFFFAOYSA-N
MW291.78 g/mol
LogP4.36
Rot. Bonds5

About 2-[(2-chloro-4-methylanilino)methyl]-6-ethoxyphenol

2-[(2-chloro-4-methylanilino)methyl]-6-ethoxyphenol (PubChem CID 28967743) has the molecular formula C16H18ClNO2 and a molecular weight of 291.78 g/mol. Its IUPAC name is 2-[(2-chloro-4-methylanilino)methyl]-6-ethoxyphenol.

Molecular Properties

Compound Name2-[(2-chloro-4-methylanilino)methyl]-6-ethoxyphenol
PubChem CID28967743
Molecular FormulaC16H18ClNO2
Molecular Weight291.78 g/mol
Exact Mass291.10
IUPAC Name2-[(2-chloro-4-methylanilino)methyl]-6-ethoxyphenol
SMILESCCOc1cccc(CNc2ccc(C)cc2Cl)c1O
InChIInChI=1S/C16H18ClNO2/c1-3-20-15-6-4-5-12(16(15)19)10-18-14-8-7-11(2)9-13(14)17/h4-9,18-19H,3,10H2,1-2H3
InChIKeyKLYZUBTYIBBNLS-UHFFFAOYSA-N
XLogP4.36
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.78
LogP ≤ 54.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[(3-bromo-5-methylanilino)methyl]-6-ethoxyphenol
CID 104938251
2-[(2-chloro-5-methylanilino)methyl]-6-methoxyphenol
CID 103880785
2-[(4-bromo-2-chloroanilino)methyl]-6-methoxyphenol
CID 43347281
2-[(3,5-dichloro-4-fluoroanilino)methyl]-6-ethoxyphenol
CID 107572598
2-[(3-bromo-2-methylanilino)methyl]-6-ethoxyphenol
CID 103818301
2-[(4-bromo-2,6-dimethylanilino)methyl]-6-ethoxyphenol
CID 60944433
2-ethoxy-N-[(2-ethoxyphenyl)methyl]-4-methylaniline
CID 60935397
4-chloro-2-[(3-ethoxy-2-hydroxyphenyl)methylamino]benzonitrile
CID 43681633
N-[(2-ethoxyphenyl)methyl]-2,4-dimethylaniline
CID 29274401
2-chloro-N-[[2-(difluoromethoxy)phenyl]methyl]-4-methylaniline
CID 28967609
2-[[2-(dimethylamino)anilino]methyl]-6-ethoxyphenol
CID 43726584
3-[(5-chloro-2-ethoxyanilino)methyl]benzene-1,2-diol
CID 61319929

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chloro-4-methylanilino)methyl]-6-ethoxyphenol?
The IUPAC name of 2-[(2-chloro-4-methylanilino)methyl]-6-ethoxyphenol (CID 28967743) is 2-[(2-chloro-4-methylanilino)methyl]-6-ethoxyphenol.
What is the SMILES notation for 2-[(2-chloro-4-methylanilino)methyl]-6-ethoxyphenol?
The canonical SMILES for 2-[(2-chloro-4-methylanilino)methyl]-6-ethoxyphenol is CCOc1cccc(CNc2ccc(C)cc2Cl)c1O.
What is the InChIKey of 2-[(2-chloro-4-methylanilino)methyl]-6-ethoxyphenol?
The InChIKey is KLYZUBTYIBBNLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClNO2/c1-3-20-15-6-4-5-12(16(15)19)10-18-14-8-7-11(2)9-13(14)17/h4-9,18-19H,3,10H2,1-2H3.
What are the key properties of 2-[(2-chloro-4-methylanilino)methyl]-6-ethoxyphenol?
2-[(2-chloro-4-methylanilino)methyl]-6-ethoxyphenol has a molecular weight of 291.78 g/mol, XLogP of 4.36, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chloro-4-methylanilino)methyl]-6-ethoxyphenol is sourced from PubChem (CID 28967743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).