1-[3-chloro-4-[1-(2-fluorophenyl)ethyl-methylamino]phenyl]ethanol

C17H19ClFNO — CID 62980067

IUPAC1-[3-chloro-4-[1-(2-fluorophenyl)ethyl-methylamino]phenyl]ethanol
SMILESCC(O)c1ccc(N(C)C(C)c2ccccc2F)c(Cl)c1
InChIInChI=1S/C17H19ClFNO/c1-11(14-6-4-5-7-16(14)19)20(3)17-9-8-13(12(2)21)10-15(17)18/h4-12,21H,1-3H3
InChIKeyGCGKCVJSOVFSHM-UHFFFAOYSA-N
MW307.80 g/mol
LogP4.73
Rot. Bonds4

About 1-[3-chloro-4-[1-(2-fluorophenyl)ethyl-methylamino]phenyl]ethanol

1-[3-chloro-4-[1-(2-fluorophenyl)ethyl-methylamino]phenyl]ethanol (PubChem CID 62980067) has the molecular formula C17H19ClFNO and a molecular weight of 307.80 g/mol. Its IUPAC name is 1-[3-chloro-4-[1-(2-fluorophenyl)ethyl-methylamino]phenyl]ethanol.

Molecular Properties

Compound Name1-[3-chloro-4-[1-(2-fluorophenyl)ethyl-methylamino]phenyl]ethanol
PubChem CID62980067
Molecular FormulaC17H19ClFNO
Molecular Weight307.80 g/mol
Exact Mass307.11
IUPAC Name1-[3-chloro-4-[1-(2-fluorophenyl)ethyl-methylamino]phenyl]ethanol
SMILESCC(O)c1ccc(N(C)C(C)c2ccccc2F)c(Cl)c1
InChIInChI=1S/C17H19ClFNO/c1-11(14-6-4-5-7-16(14)19)20(3)17-9-8-13(12(2)21)10-15(17)18/h4-12,21H,1-3H3
InChIKeyGCGKCVJSOVFSHM-UHFFFAOYSA-N
XLogP4.73
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.80
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

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Related Compounds

(1S)-1-[3-bromo-4-[1-(2-fluorophenyl)ethyl-methylamino]phenyl]ethanol
CID 78938511
4-chloro-1-N-[1-(2-fluorophenyl)ethyl]-1-N-methylbenzene-1,2-diamine
CID 62980215
(1S)-1-[3-chloro-4-[methyl(3-methylbutan-2-yl)amino]phenyl]ethanol
CID 63370881
(1R)-1-[2-[1-(2-chlorophenyl)ethyl-methylamino]-5-fluorophenyl]ethanol
CID 63371749
(1R)-1-[3-chloro-4-[3,3-dimethylbutan-2-yl(methyl)amino]phenyl]ethanol
CID 63372657
4-chloro-2-N-[1-(2-fluorophenyl)ethyl]-2-N-methylbenzene-1,2-diamine
CID 115468939
1-[3-chloro-4-(3-fluoro-N-methylanilino)phenyl]ethanol
CID 55130733
(1R)-1-[3-chloro-4-(3-fluoro-N-methylanilino)phenyl]ethanol
CID 78940935
(1S)-1-[2-[1-(2-chlorophenyl)ethyl-methylamino]phenyl]ethanol
CID 63371731
2-chloro-6-[1-(2-fluorophenyl)ethyl-methylamino]benzaldehyde
CID 63536816
4-(chloromethyl)-N-[1-(2-fluorophenyl)ethyl]-N,2-dimethylaniline
CID 63567303
4-chloro-1-N-[1-(2-chlorophenyl)ethyl]-1-N-methylbenzene-1,2-diamine
CID 55141046

Frequently Asked Questions

What is the IUPAC name of 1-[3-chloro-4-[1-(2-fluorophenyl)ethyl-methylamino]phenyl]ethanol?
The IUPAC name of 1-[3-chloro-4-[1-(2-fluorophenyl)ethyl-methylamino]phenyl]ethanol (CID 62980067) is 1-[3-chloro-4-[1-(2-fluorophenyl)ethyl-methylamino]phenyl]ethanol.
What is the SMILES notation for 1-[3-chloro-4-[1-(2-fluorophenyl)ethyl-methylamino]phenyl]ethanol?
The canonical SMILES for 1-[3-chloro-4-[1-(2-fluorophenyl)ethyl-methylamino]phenyl]ethanol is CC(O)c1ccc(N(C)C(C)c2ccccc2F)c(Cl)c1.
What is the InChIKey of 1-[3-chloro-4-[1-(2-fluorophenyl)ethyl-methylamino]phenyl]ethanol?
The InChIKey is GCGKCVJSOVFSHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClFNO/c1-11(14-6-4-5-7-16(14)19)20(3)17-9-8-13(12(2)21)10-15(17)18/h4-12,21H,1-3H3.
What are the key properties of 1-[3-chloro-4-[1-(2-fluorophenyl)ethyl-methylamino]phenyl]ethanol?
1-[3-chloro-4-[1-(2-fluorophenyl)ethyl-methylamino]phenyl]ethanol has a molecular weight of 307.80 g/mol, XLogP of 4.73, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-chloro-4-[1-(2-fluorophenyl)ethyl-methylamino]phenyl]ethanol is sourced from PubChem (CID 62980067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).