4-chloro-2-[1-(4-ethoxyanilino)ethyl]phenol

C16H18ClNO2 — CID 2948111

IUPAC4-chloro-2-[1-(4-ethoxyanilino)ethyl]phenol
SMILESCCOc1ccc(NC(C)c2cc(Cl)ccc2O)cc1
InChIInChI=1S/C16H18ClNO2/c1-3-20-14-7-5-13(6-8-14)18-11(2)15-10-12(17)4-9-16(15)19/h4-11,18-19H,3H2,1-2H3
InChIKeyFRNYXYVRARGLIN-UHFFFAOYSA-N
MW291.78 g/mol
LogP4.62
Rot. Bonds5

About 4-chloro-2-[1-(4-ethoxyanilino)ethyl]phenol

4-chloro-2-[1-(4-ethoxyanilino)ethyl]phenol (PubChem CID 2948111) has the molecular formula C16H18ClNO2 and a molecular weight of 291.78 g/mol. Its IUPAC name is 4-chloro-2-[1-(4-ethoxyanilino)ethyl]phenol.

Molecular Properties

Compound Name4-chloro-2-[1-(4-ethoxyanilino)ethyl]phenol
PubChem CID2948111
Molecular FormulaC16H18ClNO2
Molecular Weight291.78 g/mol
Exact Mass291.10
IUPAC Name4-chloro-2-[1-(4-ethoxyanilino)ethyl]phenol
SMILESCCOc1ccc(NC(C)c2cc(Cl)ccc2O)cc1
InChIInChI=1S/C16H18ClNO2/c1-3-20-14-7-5-13(6-8-14)18-11(2)15-10-12(17)4-9-16(15)19/h4-11,18-19H,3H2,1-2H3
InChIKeyFRNYXYVRARGLIN-UHFFFAOYSA-N
XLogP4.62
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 ≤ 54.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

Analyze 4-chloro-2-[1-(4-ethoxyanilino)ethyl]phenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[1-(4-propoxyanilino)ethyl]benzene-1,4-diol
CID 62329504
2-[1-(4-chloroanilino)ethyl]benzene-1,4-diol
CID 43194306
4-methyl-2-[1-(4-propoxyanilino)ethyl]phenol
CID 62327278
2-[1-(4-ethoxyanilino)ethyl]-5-fluorophenol
CID 63066351
4-chloro-2-[(1S)-1-(methylamino)ethyl]phenol
CID 94343743
4-chloro-N-[1-(4-ethoxyphenyl)ethyl]-3-fluoroaniline
CID 43721449
2-[1-(3-ethoxyanilino)ethyl]phenol
CID 54865033
N-[1-(3-bromo-4-fluorophenyl)ethyl]-4-ethoxyaniline
CID 43757906
4-bromo-2-[1-(4-ethoxyanilino)propyl]phenol
CID 43100870
4-chloro-2-[(1S)-1-(2,6-dimethylanilino)ethyl]phenol
CID 828639
[(2S)-1-(4-ethoxyanilino)-1-oxopropan-2-yl] 4-chloro-2-hydroxybenzoate
CID 8888809
2-[1-(4-chloro-3-fluoroanilino)ethyl]benzene-1,4-diol
CID 43721515

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-[1-(4-ethoxyanilino)ethyl]phenol?
The IUPAC name of 4-chloro-2-[1-(4-ethoxyanilino)ethyl]phenol (CID 2948111) is 4-chloro-2-[1-(4-ethoxyanilino)ethyl]phenol.
What is the SMILES notation for 4-chloro-2-[1-(4-ethoxyanilino)ethyl]phenol?
The canonical SMILES for 4-chloro-2-[1-(4-ethoxyanilino)ethyl]phenol is CCOc1ccc(NC(C)c2cc(Cl)ccc2O)cc1.
What is the InChIKey of 4-chloro-2-[1-(4-ethoxyanilino)ethyl]phenol?
The InChIKey is FRNYXYVRARGLIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClNO2/c1-3-20-14-7-5-13(6-8-14)18-11(2)15-10-12(17)4-9-16(15)19/h4-11,18-19H,3H2,1-2H3.
What are the key properties of 4-chloro-2-[1-(4-ethoxyanilino)ethyl]phenol?
4-chloro-2-[1-(4-ethoxyanilino)ethyl]phenol has a molecular weight of 291.78 g/mol, XLogP of 4.62, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-[1-(4-ethoxyanilino)ethyl]phenol is sourced from PubChem (CID 2948111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).