2-[(5-chloro-2-ethoxyanilino)methyl]phenol

C15H16ClNO2 — CID 54865428

IUPAC2-[(5-chloro-2-ethoxyanilino)methyl]phenol
SMILESCCOc1ccc(Cl)cc1NCc1ccccc1O
InChIInChI=1S/C15H16ClNO2/c1-2-19-15-8-7-12(16)9-13(15)17-10-11-5-3-4-6-14(11)18/h3-9,17-18H,2,10H2,1H3
InChIKeyZCILEXDFOZGIIE-UHFFFAOYSA-N
MW277.75 g/mol
LogP4.06
Rot. Bonds5

About 2-[(5-chloro-2-ethoxyanilino)methyl]phenol

2-[(5-chloro-2-ethoxyanilino)methyl]phenol (PubChem CID 54865428) has the molecular formula C15H16ClNO2 and a molecular weight of 277.75 g/mol. Its IUPAC name is 2-[(5-chloro-2-ethoxyanilino)methyl]phenol.

Molecular Properties

Compound Name2-[(5-chloro-2-ethoxyanilino)methyl]phenol
PubChem CID54865428
Molecular FormulaC15H16ClNO2
Molecular Weight277.75 g/mol
Exact Mass277.09
IUPAC Name2-[(5-chloro-2-ethoxyanilino)methyl]phenol
SMILESCCOc1ccc(Cl)cc1NCc1ccccc1O
InChIInChI=1S/C15H16ClNO2/c1-2-19-15-8-7-12(16)9-13(15)17-10-11-5-3-4-6-14(11)18/h3-9,17-18H,2,10H2,1H3
InChIKeyZCILEXDFOZGIIE-UHFFFAOYSA-N
XLogP4.06
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.75
LogP ≤ 54.06
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

3-[(5-chloro-2-ethoxyanilino)methyl]benzene-1,2-diol
CID 61319929
5-chloro-N-[(5-chloro-2-fluorophenyl)methyl]-2-ethoxyaniline
CID 114842110
3-[(5-chloro-2-ethoxyanilino)methyl]phenol
CID 54865545
5-chloro-N-[(2-ethoxyphenyl)methyl]-2-methylaniline
CID 894349
3-[(5-chloro-2-methoxyanilino)methyl]benzene-1,2-diol
CID 61319274
N-[(4-bromo-2-fluorophenyl)methyl]-5-chloro-2-ethoxyaniline
CID 63450944
4-[(5-chloro-2-methoxyanilino)methyl]-2-ethoxyphenol
CID 28514732
5-chloro-2-ethoxy-N-[(1-methylpyrrol-2-yl)methyl]aniline
CID 62132956
5-chloro-2-ethoxy-N-[(3-fluorophenyl)methyl]aniline
CID 54865430
4-chloro-2-[(3-ethoxy-2-hydroxyphenyl)methylamino]benzonitrile
CID 43681633
2-[(2-ethoxyanilino)methyl]-4-methylphenol
CID 63323369
5-chloro-N-[(3-chloro-4-methylphenyl)methyl]-2-ethoxyaniline
CID 106816634

Frequently Asked Questions

What is the IUPAC name of 2-[(5-chloro-2-ethoxyanilino)methyl]phenol?
The IUPAC name of 2-[(5-chloro-2-ethoxyanilino)methyl]phenol (CID 54865428) is 2-[(5-chloro-2-ethoxyanilino)methyl]phenol.
What is the SMILES notation for 2-[(5-chloro-2-ethoxyanilino)methyl]phenol?
The canonical SMILES for 2-[(5-chloro-2-ethoxyanilino)methyl]phenol is CCOc1ccc(Cl)cc1NCc1ccccc1O.
What is the InChIKey of 2-[(5-chloro-2-ethoxyanilino)methyl]phenol?
The InChIKey is ZCILEXDFOZGIIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClNO2/c1-2-19-15-8-7-12(16)9-13(15)17-10-11-5-3-4-6-14(11)18/h3-9,17-18H,2,10H2,1H3.
What are the key properties of 2-[(5-chloro-2-ethoxyanilino)methyl]phenol?
2-[(5-chloro-2-ethoxyanilino)methyl]phenol has a molecular weight of 277.75 g/mol, XLogP of 4.06, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-chloro-2-ethoxyanilino)methyl]phenol is sourced from PubChem (CID 54865428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).