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

C15H16ClNO2 — CID 2948326

IUPAC4-chloro-2-[1-(4-methoxyanilino)ethyl]phenol
SMILESCOc1ccc(NC(C)c2cc(Cl)ccc2O)cc1
InChIInChI=1S/C15H16ClNO2/c1-10(14-9-11(16)3-8-15(14)18)17-12-4-6-13(19-2)7-5-12/h3-10,17-18H,1-2H3
InChIKeyYIHPEXVAQUNNMG-UHFFFAOYSA-N
MW277.75 g/mol
LogP4.23
Rot. Bonds4

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

4-chloro-2-[1-(4-methoxyanilino)ethyl]phenol (PubChem CID 2948326) has the molecular formula C15H16ClNO2 and a molecular weight of 277.75 g/mol. Its IUPAC name is 4-chloro-2-[1-(4-methoxyanilino)ethyl]phenol.

Molecular Properties

Compound Name4-chloro-2-[1-(4-methoxyanilino)ethyl]phenol
PubChem CID2948326
Molecular FormulaC15H16ClNO2
Molecular Weight277.75 g/mol
Exact Mass277.09
IUPAC Name4-chloro-2-[1-(4-methoxyanilino)ethyl]phenol
SMILESCOc1ccc(NC(C)c2cc(Cl)ccc2O)cc1
InChIInChI=1S/C15H16ClNO2/c1-10(14-9-11(16)3-8-15(14)18)17-12-4-6-13(19-2)7-5-12/h3-10,17-18H,1-2H3
InChIKeyYIHPEXVAQUNNMG-UHFFFAOYSA-N
XLogP4.23
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.75
LogP ≤ 54.23
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'}

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Related Compounds

3-(5-Chloro-2-methoxyanilino)-1-(4-fluorophenyl)-1-propanol
CID 4304234
2-(((4-Methoxyphenyl)amino)methyl)phenol
CID 269972
1-(4-Chlorophenyl)-3-(4-methoxyanilino)-1-propanol
CID 3273693
Alpha-(P-phenetidino)-O-cresol
CID 853654
4-[(2-Ethoxybenzyl)amino]phenol
CID 833983
4-({2-[(4-Chlorobenzyl)oxy]benzyl}amino)phenol
CID 833991
4-({2-[(2-Chlorobenzyl)oxy]benzyl}amino)phenol
CID 833993
(5-Chloro-2-propoxybenzyl)phenylamine
CID 2194466
4-({2-[(2-Chlorobenzyl)oxy]-3-ethoxybenzyl}amino)phenol
CID 2200341
4-Chloro-2-{1-[(4-methylphenyl)amino]ethyl}phenol
CID 2948191
4-chloro-2-[[4-[(2R)-2-[methyl(prop-2-ynyl)amino]propyl]anilino]methyl]phenol
CID 122179924
4-({2-[(4-Chlorobenzyl)oxy]-3-ethoxybenzyl}amino)phenol
CID 1807333

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-[1-(4-methoxyanilino)ethyl]phenol?
The IUPAC name of 4-chloro-2-[1-(4-methoxyanilino)ethyl]phenol (CID 2948326) is 4-chloro-2-[1-(4-methoxyanilino)ethyl]phenol.
What is the SMILES notation for 4-chloro-2-[1-(4-methoxyanilino)ethyl]phenol?
The canonical SMILES for 4-chloro-2-[1-(4-methoxyanilino)ethyl]phenol is COc1ccc(NC(C)c2cc(Cl)ccc2O)cc1.
What is the InChIKey of 4-chloro-2-[1-(4-methoxyanilino)ethyl]phenol?
The InChIKey is YIHPEXVAQUNNMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClNO2/c1-10(14-9-11(16)3-8-15(14)18)17-12-4-6-13(19-2)7-5-12/h3-10,17-18H,1-2H3.
What are the key properties of 4-chloro-2-[1-(4-methoxyanilino)ethyl]phenol?
4-chloro-2-[1-(4-methoxyanilino)ethyl]phenol has a molecular weight of 277.75 g/mol, XLogP of 4.23, 4 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-methoxyanilino)ethyl]phenol is sourced from PubChem (CID 2948326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).