4-[(2-chloro-6-methylanilino)methyl]-2,6-dimethoxyphenol

C16H18ClNO3 — CID 66253798

IUPAC4-[(2-chloro-6-methylanilino)methyl]-2,6-dimethoxyphenol
SMILESCOc1cc(CNc2c(C)cccc2Cl)cc(OC)c1O
InChIInChI=1S/C16H18ClNO3/c1-10-5-4-6-12(17)15(10)18-9-11-7-13(20-2)16(19)14(8-11)21-3/h4-8,18-19H,9H2,1-3H3
InChIKeyDLQBZMBCELPKLC-UHFFFAOYSA-N
MW307.78 g/mol
LogP3.98
Rot. Bonds5

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

4-[(2-chloro-6-methylanilino)methyl]-2,6-dimethoxyphenol (PubChem CID 66253798) has the molecular formula C16H18ClNO3 and a molecular weight of 307.78 g/mol. Its IUPAC name is 4-[(2-chloro-6-methylanilino)methyl]-2,6-dimethoxyphenol.

Molecular Properties

Compound Name4-[(2-chloro-6-methylanilino)methyl]-2,6-dimethoxyphenol
PubChem CID66253798
Molecular FormulaC16H18ClNO3
Molecular Weight307.78 g/mol
Exact Mass307.10
IUPAC Name4-[(2-chloro-6-methylanilino)methyl]-2,6-dimethoxyphenol
SMILESCOc1cc(CNc2c(C)cccc2Cl)cc(OC)c1O
InChIInChI=1S/C16H18ClNO3/c1-10-5-4-6-12(17)15(10)18-9-11-7-13(20-2)16(19)14(8-11)21-3/h4-8,18-19H,9H2,1-3H3
InChIKeyDLQBZMBCELPKLC-UHFFFAOYSA-N
XLogP3.98
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.78
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2-chloro-6-methylanilino)methyl]-6-methoxyphenol
CID 51047338
2-chloro-N-[(3,5-dibromo-4-methoxyphenyl)methyl]-6-methylaniline
CID 66251869
2-chloro-N-[(3,5-dimethylphenyl)methyl]-6-methylaniline
CID 66253245
4-[(2-chloro-6-methylanilino)methyl]-2-ethoxyphenol
CID 66252251
N-[(2-bromo-4,5-dimethoxyphenyl)methyl]-2-chloro-6-methylaniline
CID 66254209
4-[(3-chloroanilino)methyl]-2,6-dimethoxyphenol
CID 28615702
2-chloro-N-[(6-methoxy-3-pyridinyl)methyl]-6-methylaniline
CID 114936803
[4-[(2-chloro-6-methylanilino)methyl]phenyl]methanol
CID 112630922
4-[(3-chloro-4-hydroxyanilino)methyl]-2,6-dimethoxyphenol
CID 107678634
2-chloro-N-[(3-fluorophenyl)methyl]-6-methylaniline
CID 66253216
2-bromo-4-[(2,6-dichloro-4-fluoroanilino)methyl]-6-methoxyphenol
CID 83078315
2-[(4-bromo-2-methoxy-6-methylanilino)methyl]-6-chlorophenol
CID 115951587

Frequently Asked Questions

What is the IUPAC name of 4-[(2-chloro-6-methylanilino)methyl]-2,6-dimethoxyphenol?
The IUPAC name of 4-[(2-chloro-6-methylanilino)methyl]-2,6-dimethoxyphenol (CID 66253798) is 4-[(2-chloro-6-methylanilino)methyl]-2,6-dimethoxyphenol.
What is the SMILES notation for 4-[(2-chloro-6-methylanilino)methyl]-2,6-dimethoxyphenol?
The canonical SMILES for 4-[(2-chloro-6-methylanilino)methyl]-2,6-dimethoxyphenol is COc1cc(CNc2c(C)cccc2Cl)cc(OC)c1O.
What is the InChIKey of 4-[(2-chloro-6-methylanilino)methyl]-2,6-dimethoxyphenol?
The InChIKey is DLQBZMBCELPKLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClNO3/c1-10-5-4-6-12(17)15(10)18-9-11-7-13(20-2)16(19)14(8-11)21-3/h4-8,18-19H,9H2,1-3H3.
What are the key properties of 4-[(2-chloro-6-methylanilino)methyl]-2,6-dimethoxyphenol?
4-[(2-chloro-6-methylanilino)methyl]-2,6-dimethoxyphenol has a molecular weight of 307.78 g/mol, XLogP of 3.98, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-chloro-6-methylanilino)methyl]-2,6-dimethoxyphenol is sourced from PubChem (CID 66253798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).