3-[(5-chloro-2-ethoxyanilino)methyl]phenol

C15H16ClNO2 — CID 54865545

IUPAC3-[(5-chloro-2-ethoxyanilino)methyl]phenol
SMILESCCOc1ccc(Cl)cc1NCc1cccc(O)c1
InChIInChI=1S/C15H16ClNO2/c1-2-19-15-7-6-12(16)9-14(15)17-10-11-4-3-5-13(18)8-11/h3-9,17-18H,2,10H2,1H3
InChIKeySFBAHLJHKISDMG-UHFFFAOYSA-N
MW277.75 g/mol
LogP4.06
Rot. Bonds5

About 3-[(5-chloro-2-ethoxyanilino)methyl]phenol

3-[(5-chloro-2-ethoxyanilino)methyl]phenol (PubChem CID 54865545) has the molecular formula C15H16ClNO2 and a molecular weight of 277.75 g/mol. Its IUPAC name is 3-[(5-chloro-2-ethoxyanilino)methyl]phenol.

Molecular Properties

Compound Name3-[(5-chloro-2-ethoxyanilino)methyl]phenol
PubChem CID54865545
Molecular FormulaC15H16ClNO2
Molecular Weight277.75 g/mol
Exact Mass277.09
IUPAC Name3-[(5-chloro-2-ethoxyanilino)methyl]phenol
SMILESCCOc1ccc(Cl)cc1NCc1cccc(O)c1
InChIInChI=1S/C15H16ClNO2/c1-2-19-15-7-6-12(16)9-14(15)17-10-11-4-3-5-13(18)8-11/h3-9,17-18H,2,10H2,1H3
InChIKeySFBAHLJHKISDMG-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

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Related Compounds

5-chloro-2-ethoxy-N-[(3-fluorophenyl)methyl]aniline
CID 54865430
2-[(5-chloro-2-ethoxyanilino)methyl]phenol
CID 54865428
3-[(5-chloro-2-ethoxyanilino)methyl]benzene-1,2-diol
CID 61319929
3-[(2-ethoxy-4-methylanilino)methyl]phenol
CID 54864734
5-chloro-N-[(3-chloro-4-methylphenyl)methyl]-2-ethoxyaniline
CID 106816634
4-[(5-chloro-2-methoxyanilino)methyl]-2-ethoxyphenol
CID 28514732
5-chloro-N-[(5-chloro-2-fluorophenyl)methyl]-2-ethoxyaniline
CID 114842110
N-(1,3-benzodioxol-5-ylmethyl)-5-chloro-2-ethoxyaniline
CID 60935607
3-[(2-propoxyanilino)methyl]phenol
CID 43682286
3-[(5-chloro-2-propoxyanilino)methyl]benzonitrile
CID 60934911
5-chloro-2-ethoxy-N-[(1-methylpyrrol-2-yl)methyl]aniline
CID 62132956
3-[[5-amino-2-(2-methoxyethoxy)anilino]methyl]phenol
CID 22026519

Frequently Asked Questions

What is the IUPAC name of 3-[(5-chloro-2-ethoxyanilino)methyl]phenol?
The IUPAC name of 3-[(5-chloro-2-ethoxyanilino)methyl]phenol (CID 54865545) is 3-[(5-chloro-2-ethoxyanilino)methyl]phenol.
What is the SMILES notation for 3-[(5-chloro-2-ethoxyanilino)methyl]phenol?
The canonical SMILES for 3-[(5-chloro-2-ethoxyanilino)methyl]phenol is CCOc1ccc(Cl)cc1NCc1cccc(O)c1.
What is the InChIKey of 3-[(5-chloro-2-ethoxyanilino)methyl]phenol?
The InChIKey is SFBAHLJHKISDMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClNO2/c1-2-19-15-7-6-12(16)9-14(15)17-10-11-4-3-5-13(18)8-11/h3-9,17-18H,2,10H2,1H3.
What are the key properties of 3-[(5-chloro-2-ethoxyanilino)methyl]phenol?
3-[(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 3-[(5-chloro-2-ethoxyanilino)methyl]phenol is sourced from PubChem (CID 54865545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).