3-fluoro-4-[1-[1-(3-fluoro-4-methylphenyl)ethylamino]ethyl]phenol

C17H19F2NO — CID 107715262

IUPAC3-fluoro-4-[1-[1-(3-fluoro-4-methylphenyl)ethylamino]ethyl]phenol
SMILESCc1ccc(C(C)NC(C)c2ccc(O)cc2F)cc1F
InChIInChI=1S/C17H19F2NO/c1-10-4-5-13(8-16(10)18)11(2)20-12(3)15-7-6-14(21)9-17(15)19/h4-9,11-12,20-21H,1-3H3
InChIKeyUZOXLAVRVYVBNQ-UHFFFAOYSA-N
MW291.34 g/mol
LogP4.39
Rot. Bonds4

About 3-fluoro-4-[1-[1-(3-fluoro-4-methylphenyl)ethylamino]ethyl]phenol

3-fluoro-4-[1-[1-(3-fluoro-4-methylphenyl)ethylamino]ethyl]phenol (PubChem CID 107715262) has the molecular formula C17H19F2NO and a molecular weight of 291.34 g/mol. Its IUPAC name is 3-fluoro-4-[1-[1-(3-fluoro-4-methylphenyl)ethylamino]ethyl]phenol.

Molecular Properties

Compound Name3-fluoro-4-[1-[1-(3-fluoro-4-methylphenyl)ethylamino]ethyl]phenol
PubChem CID107715262
Molecular FormulaC17H19F2NO
Molecular Weight291.34 g/mol
Exact Mass291.14
IUPAC Name3-fluoro-4-[1-[1-(3-fluoro-4-methylphenyl)ethylamino]ethyl]phenol
SMILESCc1ccc(C(C)NC(C)c2ccc(O)cc2F)cc1F
InChIInChI=1S/C17H19F2NO/c1-10-4-5-13(8-16(10)18)11(2)20-12(3)15-7-6-14(21)9-17(15)19/h4-9,11-12,20-21H,1-3H3
InChIKeyUZOXLAVRVYVBNQ-UHFFFAOYSA-N
XLogP4.39
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.34
LogP ≤ 54.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-[1-[[(1R)-1-(4-chlorophenyl)ethyl]amino]ethyl]-3-fluorophenol
CID 107715286
4-[1-[[(1R)-1-(2-fluorophenyl)ethyl]amino]ethyl]benzene-1,3-diol
CID 81379941
N-[(1S)-1-(2-chlorophenyl)ethyl]-1-(3-fluoro-4-methylphenyl)ethanamine
CID 81377556
N-[1-(4-chloro-3-fluorophenyl)ethyl]-1-(3-fluoro-4-methylphenyl)ethanamine
CID 83057829
4-[1-[1-(3,4-difluorophenyl)ethylamino]ethyl]phenol
CID 43680984
4-[1-[[(1S)-1-(2-bromophenyl)ethyl]amino]ethyl]-3-fluorophenol
CID 107715306
3-fluoro-4-[1-[[(1R)-1-thiophen-2-ylethyl]amino]ethyl]phenol
CID 107715315
1-(3,4-difluorophenyl)-N-[1-(2,4-dimethylphenyl)ethyl]ethanamine
CID 43680989
(2S)-2-[1-(3-fluoro-4-methylphenyl)ethylamino]-2-phenylethanol
CID 103784026
4-[1-(5-chloro-2-methylanilino)ethyl]-3-fluorophenol
CID 107714478
(1S)-N-[1-(2,4-difluorophenyl)ethyl]-1-(4-fluorophenyl)ethanamine
CID 81347108
3-fluoro-4-[1-(1-pyridin-2-ylethylamino)ethyl]phenol
CID 107714620

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-[1-[1-(3-fluoro-4-methylphenyl)ethylamino]ethyl]phenol?
The IUPAC name of 3-fluoro-4-[1-[1-(3-fluoro-4-methylphenyl)ethylamino]ethyl]phenol (CID 107715262) is 3-fluoro-4-[1-[1-(3-fluoro-4-methylphenyl)ethylamino]ethyl]phenol.
What is the SMILES notation for 3-fluoro-4-[1-[1-(3-fluoro-4-methylphenyl)ethylamino]ethyl]phenol?
The canonical SMILES for 3-fluoro-4-[1-[1-(3-fluoro-4-methylphenyl)ethylamino]ethyl]phenol is Cc1ccc(C(C)NC(C)c2ccc(O)cc2F)cc1F.
What is the InChIKey of 3-fluoro-4-[1-[1-(3-fluoro-4-methylphenyl)ethylamino]ethyl]phenol?
The InChIKey is UZOXLAVRVYVBNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F2NO/c1-10-4-5-13(8-16(10)18)11(2)20-12(3)15-7-6-14(21)9-17(15)19/h4-9,11-12,20-21H,1-3H3.
What are the key properties of 3-fluoro-4-[1-[1-(3-fluoro-4-methylphenyl)ethylamino]ethyl]phenol?
3-fluoro-4-[1-[1-(3-fluoro-4-methylphenyl)ethylamino]ethyl]phenol has a molecular weight of 291.34 g/mol, XLogP of 4.39, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-[1-[1-(3-fluoro-4-methylphenyl)ethylamino]ethyl]phenol is sourced from PubChem (CID 107715262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).