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

C16H18ClNO2 — CID 66252251

IUPAC4-[(2-chloro-6-methylanilino)methyl]-2-ethoxyphenol
SMILESCCOc1cc(CNc2c(C)cccc2Cl)ccc1O
InChIInChI=1S/C16H18ClNO2/c1-3-20-15-9-12(7-8-14(15)19)10-18-16-11(2)5-4-6-13(16)17/h4-9,18-19H,3,10H2,1-2H3
InChIKeyCOPYRWQBJQTHBU-UHFFFAOYSA-N
MW291.78 g/mol
LogP4.36
Rot. Bonds5

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

4-[(2-chloro-6-methylanilino)methyl]-2-ethoxyphenol (PubChem CID 66252251) has the molecular formula C16H18ClNO2 and a molecular weight of 291.78 g/mol. Its IUPAC name is 4-[(2-chloro-6-methylanilino)methyl]-2-ethoxyphenol.

Molecular Properties

Compound Name4-[(2-chloro-6-methylanilino)methyl]-2-ethoxyphenol
PubChem CID66252251
Molecular FormulaC16H18ClNO2
Molecular Weight291.78 g/mol
Exact Mass291.10
IUPAC Name4-[(2-chloro-6-methylanilino)methyl]-2-ethoxyphenol
SMILESCCOc1cc(CNc2c(C)cccc2Cl)ccc1O
InChIInChI=1S/C16H18ClNO2/c1-3-20-15-9-12(7-8-14(15)19)10-18-16-11(2)5-4-6-13(16)17/h4-9,18-19H,3,10H2,1-2H3
InChIKeyCOPYRWQBJQTHBU-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

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Related Compounds

4-[(2-chloro-6-methylanilino)methyl]-2,6-dimethoxyphenol
CID 66253798
[4-[(2-chloro-6-methylanilino)methyl]phenyl]methanol
CID 112630922
2-ethoxy-4-(methylaminomethyl)phenol
CID 16776359
2-chloro-N-[(3,5-dimethylphenyl)methyl]-6-methylaniline
CID 66253245
2-ethoxy-4-[[(4-methyl-3-pyridinyl)amino]methyl]phenol
CID 63329273
4-[(5-chloro-2-methoxyanilino)methyl]-2-ethoxyphenol
CID 28514732
2-chloro-N-[(3-fluorophenyl)methyl]-6-methylaniline
CID 66253216
2-[(2-chloro-6-methylanilino)methyl]-4-fluorophenol
CID 107694475
2-ethoxy-4-[[(5-methyl-3-pyridinyl)amino]methyl]phenol
CID 107584887
2-ethoxy-4-[(2-methoxy-4-methylanilino)methyl]phenol
CID 60931979
2-chloro-N-[(6-methoxy-3-pyridinyl)methyl]-6-methylaniline
CID 114936803
2-ethoxy-4-[[1-(3-hydroxyphenyl)ethylamino]methyl]phenol
CID 43748484

Frequently Asked Questions

What is the IUPAC name of 4-[(2-chloro-6-methylanilino)methyl]-2-ethoxyphenol?
The IUPAC name of 4-[(2-chloro-6-methylanilino)methyl]-2-ethoxyphenol (CID 66252251) is 4-[(2-chloro-6-methylanilino)methyl]-2-ethoxyphenol.
What is the SMILES notation for 4-[(2-chloro-6-methylanilino)methyl]-2-ethoxyphenol?
The canonical SMILES for 4-[(2-chloro-6-methylanilino)methyl]-2-ethoxyphenol is CCOc1cc(CNc2c(C)cccc2Cl)ccc1O.
What is the InChIKey of 4-[(2-chloro-6-methylanilino)methyl]-2-ethoxyphenol?
The InChIKey is COPYRWQBJQTHBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClNO2/c1-3-20-15-9-12(7-8-14(15)19)10-18-16-11(2)5-4-6-13(16)17/h4-9,18-19H,3,10H2,1-2H3.
What are the key properties of 4-[(2-chloro-6-methylanilino)methyl]-2-ethoxyphenol?
4-[(2-chloro-6-methylanilino)methyl]-2-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 4-[(2-chloro-6-methylanilino)methyl]-2-ethoxyphenol is sourced from PubChem (CID 66252251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).