4-[1-(2-chloro-5-methylanilino)ethyl]phenol

C15H16ClNO — CID 107631148

IUPAC4-[1-(2-chloro-5-methylanilino)ethyl]phenol
SMILESCc1ccc(Cl)c(NC(C)c2ccc(O)cc2)c1
InChIInChI=1S/C15H16ClNO/c1-10-3-8-14(16)15(9-10)17-11(2)12-4-6-13(18)7-5-12/h3-9,11,17-18H,1-2H3
InChIKeyCROPMQHDJXHPLI-UHFFFAOYSA-N
MW261.75 g/mol
LogP4.53
Rot. Bonds3

About 4-[1-(2-chloro-5-methylanilino)ethyl]phenol

4-[1-(2-chloro-5-methylanilino)ethyl]phenol (PubChem CID 107631148) has the molecular formula C15H16ClNO and a molecular weight of 261.75 g/mol. Its IUPAC name is 4-[1-(2-chloro-5-methylanilino)ethyl]phenol.

Molecular Properties

Compound Name4-[1-(2-chloro-5-methylanilino)ethyl]phenol
PubChem CID107631148
Molecular FormulaC15H16ClNO
Molecular Weight261.75 g/mol
Exact Mass261.09
IUPAC Name4-[1-(2-chloro-5-methylanilino)ethyl]phenol
SMILESCc1ccc(Cl)c(NC(C)c2ccc(O)cc2)c1
InChIInChI=1S/C15H16ClNO/c1-10-3-8-14(16)15(9-10)17-11(2)12-4-6-13(18)7-5-12/h3-9,11,17-18H,1-2H3
InChIKeyCROPMQHDJXHPLI-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

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Related Compounds

2-chloro-N-[1-(4-iodophenyl)ethyl]-5-methylaniline
CID 107631198
N-[1-(4-tert-butylphenyl)ethyl]-2-chloro-5-methylaniline
CID 107630912
4-[1-(2-bromo-4-methylanilino)ethyl]phenol
CID 43191244
4-[1-(4-bromo-2-chloroanilino)ethyl]phenol
CID 43347292
4-[1-[(6-chloro-1,3-benzodioxol-5-yl)amino]ethyl]phenol
CID 43685872
3-[1-(2-chloro-5-methylanilino)ethyl]benzenesulfonamide
CID 103936671
methyl 2-[1-(4-hydroxyphenyl)ethylamino]-5-methylbenzoate
CID 43679229
2-chloro-N-[1-(2,4-difluorophenyl)ethyl]-5-methylaniline
CID 107631161
2-chloro-N-[1-[3-(difluoromethoxy)phenyl]ethyl]-5-methylaniline
CID 107631068
2-chloro-N-[1-(2,6-dichloro-3-fluorophenyl)ethyl]-5-methylaniline
CID 107631308
5-[1-(2-bromo-4-methylanilino)ethyl]benzene-1,3-diol
CID 107704870
4-[1-[(8-chloroquinolin-5-yl)amino]ethyl]phenol
CID 43731743

Frequently Asked Questions

What is the IUPAC name of 4-[1-(2-chloro-5-methylanilino)ethyl]phenol?
The IUPAC name of 4-[1-(2-chloro-5-methylanilino)ethyl]phenol (CID 107631148) is 4-[1-(2-chloro-5-methylanilino)ethyl]phenol.
What is the SMILES notation for 4-[1-(2-chloro-5-methylanilino)ethyl]phenol?
The canonical SMILES for 4-[1-(2-chloro-5-methylanilino)ethyl]phenol is Cc1ccc(Cl)c(NC(C)c2ccc(O)cc2)c1.
What is the InChIKey of 4-[1-(2-chloro-5-methylanilino)ethyl]phenol?
The InChIKey is CROPMQHDJXHPLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClNO/c1-10-3-8-14(16)15(9-10)17-11(2)12-4-6-13(18)7-5-12/h3-9,11,17-18H,1-2H3.
What are the key properties of 4-[1-(2-chloro-5-methylanilino)ethyl]phenol?
4-[1-(2-chloro-5-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-[1-(2-chloro-5-methylanilino)ethyl]phenol is sourced from PubChem (CID 107631148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).