4-[1-(5-chloro-2-methylanilino)ethyl]-3-fluorophenol

C15H15ClFNO — CID 107714478

IUPAC4-[1-(5-chloro-2-methylanilino)ethyl]-3-fluorophenol
SMILESCc1ccc(Cl)cc1NC(C)c1ccc(O)cc1F
InChIInChI=1S/C15H15ClFNO/c1-9-3-4-11(16)7-15(9)18-10(2)13-6-5-12(19)8-14(13)17/h3-8,10,18-19H,1-2H3
InChIKeyCNDTZAULEFZAGK-UHFFFAOYSA-N
MW279.74 g/mol
LogP4.67
Rot. Bonds3

About 4-[1-(5-chloro-2-methylanilino)ethyl]-3-fluorophenol

4-[1-(5-chloro-2-methylanilino)ethyl]-3-fluorophenol (PubChem CID 107714478) has the molecular formula C15H15ClFNO and a molecular weight of 279.74 g/mol. Its IUPAC name is 4-[1-(5-chloro-2-methylanilino)ethyl]-3-fluorophenol.

Molecular Properties

Compound Name4-[1-(5-chloro-2-methylanilino)ethyl]-3-fluorophenol
PubChem CID107714478
Molecular FormulaC15H15ClFNO
Molecular Weight279.74 g/mol
Exact Mass279.08
IUPAC Name4-[1-(5-chloro-2-methylanilino)ethyl]-3-fluorophenol
SMILESCc1ccc(Cl)cc1NC(C)c1ccc(O)cc1F
InChIInChI=1S/C15H15ClFNO/c1-9-3-4-11(16)7-15(9)18-10(2)13-6-5-12(19)8-14(13)17/h3-8,10,18-19H,1-2H3
InChIKeyCNDTZAULEFZAGK-UHFFFAOYSA-N
XLogP4.67
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.74
LogP ≤ 54.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-[1-(5-chloro-2-methylanilino)ethyl]benzene-1,3-diol
CID 43189464
3-fluoro-4-[1-(2,4,6-trichloroanilino)ethyl]phenol
CID 107714699
2-[1-(5-chloro-2-fluoroanilino)ethyl]benzene-1,4-diol
CID 43438338
3-fluoro-4-[1-(2,4,5-trifluoroanilino)ethyl]phenol
CID 107715105
2-[1-(5-chloro-2-methylanilino)ethyl]phenol
CID 43189458
4-[1-(3,5-dichloroanilino)ethyl]-3-fluorophenol
CID 107714542
4-[1-(2,3-dimethylanilino)ethyl]-3-fluorophenol
CID 107714598
3-fluoro-4-[1-(3-methoxy-2,4-dimethylanilino)ethyl]phenol
CID 107714882
4-[1-(3,4-dichloroanilino)ethyl]-3-fluorophenol
CID 107714548
4-[1-[[(1R)-1-(4-chlorophenyl)ethyl]amino]ethyl]-3-fluorophenol
CID 107715286
4-[1-(2-bromo-5-chloroanilino)ethyl]benzene-1,3-diol
CID 81270634
4-[1-[(1,3-dimethylpyrazol-4-yl)amino]ethyl]-3-fluorophenol
CID 107715487

Frequently Asked Questions

What is the IUPAC name of 4-[1-(5-chloro-2-methylanilino)ethyl]-3-fluorophenol?
The IUPAC name of 4-[1-(5-chloro-2-methylanilino)ethyl]-3-fluorophenol (CID 107714478) is 4-[1-(5-chloro-2-methylanilino)ethyl]-3-fluorophenol.
What is the SMILES notation for 4-[1-(5-chloro-2-methylanilino)ethyl]-3-fluorophenol?
The canonical SMILES for 4-[1-(5-chloro-2-methylanilino)ethyl]-3-fluorophenol is Cc1ccc(Cl)cc1NC(C)c1ccc(O)cc1F.
What is the InChIKey of 4-[1-(5-chloro-2-methylanilino)ethyl]-3-fluorophenol?
The InChIKey is CNDTZAULEFZAGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClFNO/c1-9-3-4-11(16)7-15(9)18-10(2)13-6-5-12(19)8-14(13)17/h3-8,10,18-19H,1-2H3.
What are the key properties of 4-[1-(5-chloro-2-methylanilino)ethyl]-3-fluorophenol?
4-[1-(5-chloro-2-methylanilino)ethyl]-3-fluorophenol has a molecular weight of 279.74 g/mol, XLogP of 4.67, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(5-chloro-2-methylanilino)ethyl]-3-fluorophenol is sourced from PubChem (CID 107714478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).