(1R)-1-[2-(4-chloro-2-methylphenoxy)-5-fluorophenyl]ethanamine

C15H15ClFNO — CID 29275289

IUPAC(1R)-1-[2-(4-chloro-2-methylphenoxy)-5-fluorophenyl]ethanamine
SMILESCc1cc(Cl)ccc1Oc1ccc(F)cc1[C@@H](C)N
InChIInChI=1S/C15H15ClFNO/c1-9-7-11(16)3-5-14(9)19-15-6-4-12(17)8-13(15)10(2)18/h3-8,10H,18H2,1-2H3/t10-/m1/s1
InChIKeyGTQRPPMVFNKVCJ-SNVBAGLBSA-N
MW279.74 g/mol
LogP4.60
Rot. Bonds3

About (1R)-1-[2-(4-chloro-2-methylphenoxy)-5-fluorophenyl]ethanamine

(1R)-1-[2-(4-chloro-2-methylphenoxy)-5-fluorophenyl]ethanamine (PubChem CID 29275289) has the molecular formula C15H15ClFNO and a molecular weight of 279.74 g/mol. Its IUPAC name is (1R)-1-[2-(4-chloro-2-methylphenoxy)-5-fluorophenyl]ethanamine.

Molecular Properties

Compound Name(1R)-1-[2-(4-chloro-2-methylphenoxy)-5-fluorophenyl]ethanamine
PubChem CID29275289
Molecular FormulaC15H15ClFNO
Molecular Weight279.74 g/mol
Exact Mass279.08
IUPAC Name(1R)-1-[2-(4-chloro-2-methylphenoxy)-5-fluorophenyl]ethanamine
SMILESCc1cc(Cl)ccc1Oc1ccc(F)cc1[C@@H](C)N
InChIInChI=1S/C15H15ClFNO/c1-9-7-11(16)3-5-14(9)19-15-6-4-12(17)8-13(15)10(2)18/h3-8,10H,18H2,1-2H3/t10-/m1/s1
InChIKeyGTQRPPMVFNKVCJ-SNVBAGLBSA-N
XLogP4.60
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.74
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1S)-1-[2-(2-chloro-4-methylphenoxy)-5-fluorophenyl]ethanamine
CID 78938414
1-[5-fluoro-2-(2,3,5-trimethylphenoxy)phenyl]ethanamine
CID 43118097
(1S)-1-[2-(5-bromo-2-fluorophenoxy)-5-fluorophenyl]ethanamine
CID 104940716
1-[5-chloro-2-(4-fluoro-2-methylphenoxy)phenyl]propan-2-amine
CID 114863411
(1S)-1-[2-(4-bromo-2-fluorophenoxy)-5-fluorophenyl]ethanamine
CID 28971365
1-[5-fluoro-2-(2-methylsulfanylphenoxy)phenyl]ethanamine
CID 63649355
(1S)-1-[2-(3-bromo-4-fluorophenoxy)-5-fluorophenyl]ethanamine
CID 83234046
1-[2-(2,5-difluorophenoxy)phenyl]ethanamine
CID 55168326
(1R)-1-[2-(2,4-dichlorophenoxy)-5-fluorophenyl]ethanol
CID 63372482
(1R)-1-[5-chloro-2-[(2,5-difluorophenyl)methoxy]phenyl]ethanamine
CID 78933101
(1R)-1-[5-fluoro-2-[(2-methylpropan-2-yl)oxy]phenyl]ethanamine
CID 29003340
(1S)-1-[2-(2,5-dichlorophenoxy)-5-fluorophenyl]ethanol
CID 55183586

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[2-(4-chloro-2-methylphenoxy)-5-fluorophenyl]ethanamine?
The IUPAC name of (1R)-1-[2-(4-chloro-2-methylphenoxy)-5-fluorophenyl]ethanamine (CID 29275289) is (1R)-1-[2-(4-chloro-2-methylphenoxy)-5-fluorophenyl]ethanamine.
What is the SMILES notation for (1R)-1-[2-(4-chloro-2-methylphenoxy)-5-fluorophenyl]ethanamine?
The canonical SMILES for (1R)-1-[2-(4-chloro-2-methylphenoxy)-5-fluorophenyl]ethanamine is Cc1cc(Cl)ccc1Oc1ccc(F)cc1[C@@H](C)N.
What is the InChIKey of (1R)-1-[2-(4-chloro-2-methylphenoxy)-5-fluorophenyl]ethanamine?
The InChIKey is GTQRPPMVFNKVCJ-SNVBAGLBSA-N. The full InChI is InChI=1S/C15H15ClFNO/c1-9-7-11(16)3-5-14(9)19-15-6-4-12(17)8-13(15)10(2)18/h3-8,10H,18H2,1-2H3/t10-/m1/s1.
What are the key properties of (1R)-1-[2-(4-chloro-2-methylphenoxy)-5-fluorophenyl]ethanamine?
(1R)-1-[2-(4-chloro-2-methylphenoxy)-5-fluorophenyl]ethanamine has a molecular weight of 279.74 g/mol, XLogP of 4.60, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[2-(4-chloro-2-methylphenoxy)-5-fluorophenyl]ethanamine is sourced from PubChem (CID 29275289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).