4-[(5-chloro-2-methoxyanilino)methyl]-2-ethoxyphenol

C16H18ClNO3 — CID 28514732

IUPAC4-[(5-chloro-2-methoxyanilino)methyl]-2-ethoxyphenol
SMILESCCOc1cc(CNc2cc(Cl)ccc2OC)ccc1O
InChIInChI=1S/C16H18ClNO3/c1-3-21-16-8-11(4-6-14(16)19)10-18-13-9-12(17)5-7-15(13)20-2/h4-9,18-19H,3,10H2,1-2H3
InChIKeyMPQSWGGBNWJJSB-UHFFFAOYSA-N
MW307.78 g/mol
LogP4.07
Rot. Bonds6

About 4-[(5-chloro-2-methoxyanilino)methyl]-2-ethoxyphenol

4-[(5-chloro-2-methoxyanilino)methyl]-2-ethoxyphenol (PubChem CID 28514732) has the molecular formula C16H18ClNO3 and a molecular weight of 307.78 g/mol. Its IUPAC name is 4-[(5-chloro-2-methoxyanilino)methyl]-2-ethoxyphenol.

Molecular Properties

Compound Name4-[(5-chloro-2-methoxyanilino)methyl]-2-ethoxyphenol
PubChem CID28514732
Molecular FormulaC16H18ClNO3
Molecular Weight307.78 g/mol
Exact Mass307.10
IUPAC Name4-[(5-chloro-2-methoxyanilino)methyl]-2-ethoxyphenol
SMILESCCOc1cc(CNc2cc(Cl)ccc2OC)ccc1O
InChIInChI=1S/C16H18ClNO3/c1-3-21-16-8-11(4-6-14(16)19)10-18-13-9-12(17)5-7-15(13)20-2/h4-9,18-19H,3,10H2,1-2H3
InChIKeyMPQSWGGBNWJJSB-UHFFFAOYSA-N
XLogP4.07
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.78
LogP ≤ 54.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-ethoxy-4-[(2-methoxy-4-methylanilino)methyl]phenol
CID 60931979
5-chloro-N-[(3-chloro-4-methoxyphenyl)methyl]-2-methoxyaniline
CID 65022123
3-[(5-chloro-2-ethoxyanilino)methyl]phenol
CID 54865545
5-chloro-N-[(3-chloro-4-methylphenyl)methyl]-2-ethoxyaniline
CID 106816634
4-[(2-ethoxy-4-fluoroanilino)methyl]-2-methoxyphenol
CID 43730019
2-[(5-chloro-2-ethoxyanilino)methyl]phenol
CID 54865428
5-chloro-2-[(4-ethoxy-3-methoxyphenyl)methylamino]benzonitrile
CID 133285832
5-chloro-N-[(3-ethoxy-4-hydroxyphenyl)methyl]-2-hydroxybenzenesulfonamide
CID 166396302
4-[(5-chloro-2-propoxyanilino)methyl]-2-fluorophenol
CID 107685652
N-[(3-bromo-4-chlorophenyl)methyl]-5-chloro-2-methoxyaniline
CID 83235721
N-[(4-ethoxy-3-methoxyphenyl)methyl]-2-methoxyaniline
CID 28612218
4-[(5-chloro-2-methoxyanilino)methyl]benzoic acid
CID 39398714

Frequently Asked Questions

What is the IUPAC name of 4-[(5-chloro-2-methoxyanilino)methyl]-2-ethoxyphenol?
The IUPAC name of 4-[(5-chloro-2-methoxyanilino)methyl]-2-ethoxyphenol (CID 28514732) is 4-[(5-chloro-2-methoxyanilino)methyl]-2-ethoxyphenol.
What is the SMILES notation for 4-[(5-chloro-2-methoxyanilino)methyl]-2-ethoxyphenol?
The canonical SMILES for 4-[(5-chloro-2-methoxyanilino)methyl]-2-ethoxyphenol is CCOc1cc(CNc2cc(Cl)ccc2OC)ccc1O.
What is the InChIKey of 4-[(5-chloro-2-methoxyanilino)methyl]-2-ethoxyphenol?
The InChIKey is MPQSWGGBNWJJSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClNO3/c1-3-21-16-8-11(4-6-14(16)19)10-18-13-9-12(17)5-7-15(13)20-2/h4-9,18-19H,3,10H2,1-2H3.
What are the key properties of 4-[(5-chloro-2-methoxyanilino)methyl]-2-ethoxyphenol?
4-[(5-chloro-2-methoxyanilino)methyl]-2-ethoxyphenol has a molecular weight of 307.78 g/mol, XLogP of 4.07, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-chloro-2-methoxyanilino)methyl]-2-ethoxyphenol is sourced from PubChem (CID 28514732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).