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

C15H16ClNO — CID 2948191

IUPAC4-chloro-2-[1-(4-methylanilino)ethyl]phenol
SMILESCc1ccc(NC(C)c2cc(Cl)ccc2O)cc1
InChIInChI=1S/C15H16ClNO/c1-10-3-6-13(7-4-10)17-11(2)14-9-12(16)5-8-15(14)18/h3-9,11,17-18H,1-2H3
InChIKeyOTSRWQVQYSTABW-UHFFFAOYSA-N
MW261.75 g/mol
LogP4.53
Rot. Bonds3

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

4-chloro-2-[1-(4-methylanilino)ethyl]phenol (PubChem CID 2948191) has the molecular formula C15H16ClNO and a molecular weight of 261.75 g/mol. Its IUPAC name is 4-chloro-2-[1-(4-methylanilino)ethyl]phenol.

Molecular Properties

Compound Name4-chloro-2-[1-(4-methylanilino)ethyl]phenol
PubChem CID2948191
Molecular FormulaC15H16ClNO
Molecular Weight261.75 g/mol
Exact Mass261.09
IUPAC Name4-chloro-2-[1-(4-methylanilino)ethyl]phenol
SMILESCc1ccc(NC(C)c2cc(Cl)ccc2O)cc1
InChIInChI=1S/C15H16ClNO/c1-10-3-6-13(7-4-10)17-11(2)14-9-12(16)5-8-15(14)18/h3-9,11,17-18H,1-2H3
InChIKeyOTSRWQVQYSTABW-UHFFFAOYSA-N
XLogP4.53
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.75
LogP ≤ 54.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-[1-(4-methylanilino)ethyl]phenol?
The IUPAC name of 4-chloro-2-[1-(4-methylanilino)ethyl]phenol (CID 2948191) is 4-chloro-2-[1-(4-methylanilino)ethyl]phenol.
What is the SMILES notation for 4-chloro-2-[1-(4-methylanilino)ethyl]phenol?
The canonical SMILES for 4-chloro-2-[1-(4-methylanilino)ethyl]phenol is Cc1ccc(NC(C)c2cc(Cl)ccc2O)cc1.
What is the InChIKey of 4-chloro-2-[1-(4-methylanilino)ethyl]phenol?
The InChIKey is OTSRWQVQYSTABW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClNO/c1-10-3-6-13(7-4-10)17-11(2)14-9-12(16)5-8-15(14)18/h3-9,11,17-18H,1-2H3.
What are the key properties of 4-chloro-2-[1-(4-methylanilino)ethyl]phenol?
4-chloro-2-[1-(4-methylanilino)ethyl]phenol has a molecular weight of 261.75 g/mol, XLogP of 4.53, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-[1-(4-methylanilino)ethyl]phenol is sourced from PubChem (CID 2948191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).