(1R)-1-[2-[1-(2-chlorophenyl)ethyl-methylamino]-5-fluorophenyl]ethanol

C17H19ClFNO — CID 63371749

IUPAC(1R)-1-[2-[1-(2-chlorophenyl)ethyl-methylamino]-5-fluorophenyl]ethanol
SMILESCC(c1ccccc1Cl)N(C)c1ccc(F)cc1[C@@H](C)O
InChIInChI=1S/C17H19ClFNO/c1-11(14-6-4-5-7-16(14)18)20(3)17-9-8-13(19)10-15(17)12(2)21/h4-12,21H,1-3H3/t11?,12-/m1/s1
InChIKeyHSIBFICTWFEEJZ-PIJUOVFKSA-N
MW307.80 g/mol
LogP4.73
Rot. Bonds4

About (1R)-1-[2-[1-(2-chlorophenyl)ethyl-methylamino]-5-fluorophenyl]ethanol

(1R)-1-[2-[1-(2-chlorophenyl)ethyl-methylamino]-5-fluorophenyl]ethanol (PubChem CID 63371749) has the molecular formula C17H19ClFNO and a molecular weight of 307.80 g/mol. Its IUPAC name is (1R)-1-[2-[1-(2-chlorophenyl)ethyl-methylamino]-5-fluorophenyl]ethanol.

Molecular Properties

Compound Name(1R)-1-[2-[1-(2-chlorophenyl)ethyl-methylamino]-5-fluorophenyl]ethanol
PubChem CID63371749
Molecular FormulaC17H19ClFNO
Molecular Weight307.80 g/mol
Exact Mass307.11
IUPAC Name(1R)-1-[2-[1-(2-chlorophenyl)ethyl-methylamino]-5-fluorophenyl]ethanol
SMILESCC(c1ccccc1Cl)N(C)c1ccc(F)cc1[C@@H](C)O
InChIInChI=1S/C17H19ClFNO/c1-11(14-6-4-5-7-16(14)18)20(3)17-9-8-13(19)10-15(17)12(2)21/h4-12,21H,1-3H3/t11?,12-/m1/s1
InChIKeyHSIBFICTWFEEJZ-PIJUOVFKSA-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

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Related Compounds

(1S)-1-[2-[1-(2-chlorophenyl)ethyl-methylamino]phenyl]ethanol
CID 63371731
2-[1-(2-chlorophenyl)ethyl-methylamino]-5-fluorobenzenecarbothioamide
CID 63673566
1-[3-chloro-4-[1-(2-fluorophenyl)ethyl-methylamino]phenyl]ethanol
CID 62980067
4-chloro-1-N-[1-(2-chlorophenyl)ethyl]-1-N-methylbenzene-1,2-diamine
CID 55141046
(1R)-1-[5-fluoro-2-[methyl(2-methylpropyl)amino]phenyl]ethanol
CID 63370772
5-bromo-2-[1-(2-chlorophenyl)ethyl-methylamino]benzenecarbothioamide
CID 114891742
2-(1-aminoethyl)-N-[1-(4-chlorophenyl)ethyl]-4-fluoro-N-methylaniline
CID 62978142
(1R)-1-[2-[1-(3-chlorophenyl)ethyl-methylamino]phenyl]ethanol
CID 78941110
3-chloro-4-[1-(2-chlorophenyl)ethyl-methylamino]benzaldehyde
CID 81145708
(1R)-1-[2-[bis(2-methylpropyl)amino]-5-fluorophenyl]ethanol
CID 55184479
(1S)-1-[5-fluoro-2-[(4-fluorophenyl)methyl-methylamino]phenyl]ethanol
CID 78939980
(1R)-1-[2-(2-chloro-4-fluorophenoxy)phenyl]ethanol
CID 78941796

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[2-[1-(2-chlorophenyl)ethyl-methylamino]-5-fluorophenyl]ethanol?
The IUPAC name of (1R)-1-[2-[1-(2-chlorophenyl)ethyl-methylamino]-5-fluorophenyl]ethanol (CID 63371749) is (1R)-1-[2-[1-(2-chlorophenyl)ethyl-methylamino]-5-fluorophenyl]ethanol.
What is the SMILES notation for (1R)-1-[2-[1-(2-chlorophenyl)ethyl-methylamino]-5-fluorophenyl]ethanol?
The canonical SMILES for (1R)-1-[2-[1-(2-chlorophenyl)ethyl-methylamino]-5-fluorophenyl]ethanol is CC(c1ccccc1Cl)N(C)c1ccc(F)cc1[C@@H](C)O.
What is the InChIKey of (1R)-1-[2-[1-(2-chlorophenyl)ethyl-methylamino]-5-fluorophenyl]ethanol?
The InChIKey is HSIBFICTWFEEJZ-PIJUOVFKSA-N. The full InChI is InChI=1S/C17H19ClFNO/c1-11(14-6-4-5-7-16(14)18)20(3)17-9-8-13(19)10-15(17)12(2)21/h4-12,21H,1-3H3/t11?,12-/m1/s1.
What are the key properties of (1R)-1-[2-[1-(2-chlorophenyl)ethyl-methylamino]-5-fluorophenyl]ethanol?
(1R)-1-[2-[1-(2-chlorophenyl)ethyl-methylamino]-5-fluorophenyl]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 (1R)-1-[2-[1-(2-chlorophenyl)ethyl-methylamino]-5-fluorophenyl]ethanol is sourced from PubChem (CID 63371749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).