2-chloro-4-[1-[4-(difluoromethoxy)phenyl]ethylamino]phenol

C15H14ClF2NO2 — CID 107678509

IUPAC2-chloro-4-[1-[4-(difluoromethoxy)phenyl]ethylamino]phenol
SMILESCC(Nc1ccc(O)c(Cl)c1)c1ccc(OC(F)F)cc1
InChIInChI=1S/C15H14ClF2NO2/c1-9(19-11-4-7-14(20)13(16)8-11)10-2-5-12(6-3-10)21-15(17)18/h2-9,15,19-20H,1H3
InChIKeyQZJASSPZTLAOLC-UHFFFAOYSA-N
MW313.73 g/mol
LogP4.82
Rot. Bonds5

About 2-chloro-4-[1-[4-(difluoromethoxy)phenyl]ethylamino]phenol

2-chloro-4-[1-[4-(difluoromethoxy)phenyl]ethylamino]phenol (PubChem CID 107678509) has the molecular formula C15H14ClF2NO2 and a molecular weight of 313.73 g/mol. Its IUPAC name is 2-chloro-4-[1-[4-(difluoromethoxy)phenyl]ethylamino]phenol.

Molecular Properties

Compound Name2-chloro-4-[1-[4-(difluoromethoxy)phenyl]ethylamino]phenol
PubChem CID107678509
Molecular FormulaC15H14ClF2NO2
Molecular Weight313.73 g/mol
Exact Mass313.07
IUPAC Name2-chloro-4-[1-[4-(difluoromethoxy)phenyl]ethylamino]phenol
SMILESCC(Nc1ccc(O)c(Cl)c1)c1ccc(OC(F)F)cc1
InChIInChI=1S/C15H14ClF2NO2/c1-9(19-11-4-7-14(20)13(16)8-11)10-2-5-12(6-3-10)21-15(17)18/h2-9,15,19-20H,1H3
InChIKeyQZJASSPZTLAOLC-UHFFFAOYSA-N
XLogP4.82
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.73
LogP ≤ 54.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

N-[1-[4-(difluoromethoxy)phenyl]ethyl]-3,4-dimethylaniline
CID 43110389
3-chloro-N-[(1R)-1-[4-(difluoromethoxy)phenyl]ethyl]-4-hydroxybenzamide
CID 51933816
N-[1-[4-(difluoromethoxy)phenyl]ethyl]-3-fluoro-4-methylaniline
CID 43100863
4-[1-[3-(difluoromethoxy)phenyl]ethylamino]-2-fluorophenol
CID 64792600
N-[1-[4-(difluoromethoxy)phenyl]ethyl]-3-fluoroaniline
CID 43099103
N-[1-[4-(difluoromethoxy)phenyl]ethyl]-3-iodoaniline
CID 43124494
4-chloro-3-fluoro-N-[1-(4-propan-2-yloxyphenyl)ethyl]aniline
CID 43721459
4-(difluoromethoxy)-N-[1-(4-methylsulfanylphenyl)ethyl]aniline
CID 43103644
2-bromo-5-chloro-N-[1-[4-(difluoromethoxy)phenyl]ethyl]aniline
CID 81269412
5-[1-(3,4-dichloroanilino)ethyl]benzene-1,3-diol
CID 107704974
2-chloro-4-(1,1-dimethoxypropan-2-ylamino)phenol
CID 107678609
5-[1-(3-chloro-4-fluoroanilino)ethyl]benzene-1,3-diol
CID 107705381

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-[1-[4-(difluoromethoxy)phenyl]ethylamino]phenol?
The IUPAC name of 2-chloro-4-[1-[4-(difluoromethoxy)phenyl]ethylamino]phenol (CID 107678509) is 2-chloro-4-[1-[4-(difluoromethoxy)phenyl]ethylamino]phenol.
What is the SMILES notation for 2-chloro-4-[1-[4-(difluoromethoxy)phenyl]ethylamino]phenol?
The canonical SMILES for 2-chloro-4-[1-[4-(difluoromethoxy)phenyl]ethylamino]phenol is CC(Nc1ccc(O)c(Cl)c1)c1ccc(OC(F)F)cc1.
What is the InChIKey of 2-chloro-4-[1-[4-(difluoromethoxy)phenyl]ethylamino]phenol?
The InChIKey is QZJASSPZTLAOLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClF2NO2/c1-9(19-11-4-7-14(20)13(16)8-11)10-2-5-12(6-3-10)21-15(17)18/h2-9,15,19-20H,1H3.
What are the key properties of 2-chloro-4-[1-[4-(difluoromethoxy)phenyl]ethylamino]phenol?
2-chloro-4-[1-[4-(difluoromethoxy)phenyl]ethylamino]phenol has a molecular weight of 313.73 g/mol, XLogP of 4.82, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-[1-[4-(difluoromethoxy)phenyl]ethylamino]phenol is sourced from PubChem (CID 107678509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).