4-[1-[[(1R)-1-(4-chlorophenyl)ethyl]amino]ethyl]-3-fluorophenol

C16H17ClFNO — CID 107715286

IUPAC4-[1-[[(1R)-1-(4-chlorophenyl)ethyl]amino]ethyl]-3-fluorophenol
SMILESCC(N[C@H](C)c1ccc(Cl)cc1)c1ccc(O)cc1F
InChIInChI=1S/C16H17ClFNO/c1-10(12-3-5-13(17)6-4-12)19-11(2)15-8-7-14(20)9-16(15)18/h3-11,19-20H,1-2H3/t10-,11?/m1/s1
InChIKeyREEZUTLIVYSYBI-NFJWQWPMSA-N
MW293.77 g/mol
LogP4.60
Rot. Bonds4

About 4-[1-[[(1R)-1-(4-chlorophenyl)ethyl]amino]ethyl]-3-fluorophenol

4-[1-[[(1R)-1-(4-chlorophenyl)ethyl]amino]ethyl]-3-fluorophenol (PubChem CID 107715286) has the molecular formula C16H17ClFNO and a molecular weight of 293.77 g/mol. Its IUPAC name is 4-[1-[[(1R)-1-(4-chlorophenyl)ethyl]amino]ethyl]-3-fluorophenol.

Molecular Properties

Compound Name4-[1-[[(1R)-1-(4-chlorophenyl)ethyl]amino]ethyl]-3-fluorophenol
PubChem CID107715286
Molecular FormulaC16H17ClFNO
Molecular Weight293.77 g/mol
Exact Mass293.10
IUPAC Name4-[1-[[(1R)-1-(4-chlorophenyl)ethyl]amino]ethyl]-3-fluorophenol
SMILESCC(N[C@H](C)c1ccc(Cl)cc1)c1ccc(O)cc1F
InChIInChI=1S/C16H17ClFNO/c1-10(12-3-5-13(17)6-4-12)19-11(2)15-8-7-14(20)9-16(15)18/h3-11,19-20H,1-2H3/t10-,11?/m1/s1
InChIKeyREEZUTLIVYSYBI-NFJWQWPMSA-N
XLogP4.60
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.77
LogP ≤ 54.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 4-[1-[[(1R)-1-(4-chlorophenyl)ethyl]amino]ethyl]-3-fluorophenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-fluoro-4-[1-[1-(3-fluoro-4-methylphenyl)ethylamino]ethyl]phenol
CID 107715262
4-[1-(3,5-dichloroanilino)ethyl]-3-fluorophenol
CID 107714542
3-fluoro-4-[1-(2,4,6-trichloroanilino)ethyl]phenol
CID 107714699
4-[1-[1-(3,4-difluorophenyl)ethylamino]ethyl]phenol
CID 43680984
(1S)-N-[1-(2,4-difluorophenyl)ethyl]-1-(4-fluorophenyl)ethanamine
CID 81347108
(1S)-1-(4-chlorophenyl)-N-[1-(3,5-difluorophenyl)ethyl]ethanamine
CID 81352116
4-[1-[[(1S)-1-(2-bromophenyl)ethyl]amino]ethyl]-3-fluorophenol
CID 107715306
(1S)-N-[1-(4-chlorophenyl)ethyl]-1-(4-fluorophenyl)ethanamine
CID 81348104
N-[1-(3-chloro-4-fluorophenyl)ethyl]-1-(4-chlorophenyl)ethanamine
CID 43108630
3-fluoro-4-[1-[[(1R)-1-thiophen-2-ylethyl]amino]ethyl]phenol
CID 107715315
4-[1-(5-chloro-2-methylanilino)ethyl]-3-fluorophenol
CID 107714478
(1R)-1-(4-chlorophenyl)-N-[1-(2,4-dimethylphenyl)ethyl]ethanamine
CID 81352684

Frequently Asked Questions

What is the IUPAC name of 4-[1-[[(1R)-1-(4-chlorophenyl)ethyl]amino]ethyl]-3-fluorophenol?
The IUPAC name of 4-[1-[[(1R)-1-(4-chlorophenyl)ethyl]amino]ethyl]-3-fluorophenol (CID 107715286) is 4-[1-[[(1R)-1-(4-chlorophenyl)ethyl]amino]ethyl]-3-fluorophenol.
What is the SMILES notation for 4-[1-[[(1R)-1-(4-chlorophenyl)ethyl]amino]ethyl]-3-fluorophenol?
The canonical SMILES for 4-[1-[[(1R)-1-(4-chlorophenyl)ethyl]amino]ethyl]-3-fluorophenol is CC(N[C@H](C)c1ccc(Cl)cc1)c1ccc(O)cc1F.
What is the InChIKey of 4-[1-[[(1R)-1-(4-chlorophenyl)ethyl]amino]ethyl]-3-fluorophenol?
The InChIKey is REEZUTLIVYSYBI-NFJWQWPMSA-N. The full InChI is InChI=1S/C16H17ClFNO/c1-10(12-3-5-13(17)6-4-12)19-11(2)15-8-7-14(20)9-16(15)18/h3-11,19-20H,1-2H3/t10-,11?/m1/s1.
What are the key properties of 4-[1-[[(1R)-1-(4-chlorophenyl)ethyl]amino]ethyl]-3-fluorophenol?
4-[1-[[(1R)-1-(4-chlorophenyl)ethyl]amino]ethyl]-3-fluorophenol has a molecular weight of 293.77 g/mol, XLogP of 4.60, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[[(1R)-1-(4-chlorophenyl)ethyl]amino]ethyl]-3-fluorophenol is sourced from PubChem (CID 107715286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).