(1R)-1-[3-[(2-chloro-5-fluorophenyl)methoxy]phenyl]ethanamine

C15H15ClFNO — CID 102615235

IUPAC(1R)-1-[3-[(2-chloro-5-fluorophenyl)methoxy]phenyl]ethanamine
SMILESC[C@@H](N)c1cccc(OCc2cc(F)ccc2Cl)c1
InChIInChI=1S/C15H15ClFNO/c1-10(18)11-3-2-4-14(8-11)19-9-12-7-13(17)5-6-15(12)16/h2-8,10H,9,18H2,1H3/t10-/m1/s1
InChIKeyIMDPFPQKYHPXSV-SNVBAGLBSA-N
MW279.74 g/mol
LogP4.08
Rot. Bonds4

About (1R)-1-[3-[(2-chloro-5-fluorophenyl)methoxy]phenyl]ethanamine

(1R)-1-[3-[(2-chloro-5-fluorophenyl)methoxy]phenyl]ethanamine (PubChem CID 102615235) has the molecular formula C15H15ClFNO and a molecular weight of 279.74 g/mol. Its IUPAC name is (1R)-1-[3-[(2-chloro-5-fluorophenyl)methoxy]phenyl]ethanamine.

Molecular Properties

Compound Name(1R)-1-[3-[(2-chloro-5-fluorophenyl)methoxy]phenyl]ethanamine
PubChem CID102615235
Molecular FormulaC15H15ClFNO
Molecular Weight279.74 g/mol
Exact Mass279.08
IUPAC Name(1R)-1-[3-[(2-chloro-5-fluorophenyl)methoxy]phenyl]ethanamine
SMILESC[C@@H](N)c1cccc(OCc2cc(F)ccc2Cl)c1
InChIInChI=1S/C15H15ClFNO/c1-10(18)11-3-2-4-14(8-11)19-9-12-7-13(17)5-6-15(12)16/h2-8,10H,9,18H2,1H3/t10-/m1/s1
InChIKeyIMDPFPQKYHPXSV-SNVBAGLBSA-N
XLogP4.08
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.74
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1S)-1-[3-[(4-fluoro-2-methylphenyl)methoxy]phenyl]ethanamine
CID 104894054
(1R)-1-[3-chloro-4-[(2-chloro-5-fluorophenyl)methoxy]phenyl]ethanamine
CID 102615294
(1S)-1-[3-[(5-fluoro-2-nitrophenyl)methoxy]phenyl]ethanamine
CID 63367201
(1S)-1-[4-[(2-chloro-5-fluorophenyl)methoxy]-2-fluorophenyl]ethanamine
CID 107719001
(1R)-1-[3-[(3,4-dichlorophenyl)methoxy]phenyl]ethanamine
CID 55190099
(1S)-1-[3-[(3-chloro-4-fluorophenyl)methoxy]phenyl]ethanamine
CID 103037860
4-[[3-(1-aminoethyl)phenoxy]methyl]-3-chlorobenzonitrile
CID 102663637
(2-chloro-5-fluorophenyl)-(3-ethoxyphenyl)methanamine
CID 105394638
(1R)-1-[3-[(2-chloro-4-nitrophenyl)methoxy]phenyl]ethanamine
CID 63368526
(1S)-1-[3-[(2,5-dimethylphenyl)methoxy]phenyl]ethanamine
CID 78936316
1-[3-[(3,4-difluorophenyl)methoxy]phenyl]ethanamine
CID 82918244
1-[4-[(2-chloro-5-fluorophenyl)methoxy]-2-fluorophenyl]ethanol
CID 107719703

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[3-[(2-chloro-5-fluorophenyl)methoxy]phenyl]ethanamine?
The IUPAC name of (1R)-1-[3-[(2-chloro-5-fluorophenyl)methoxy]phenyl]ethanamine (CID 102615235) is (1R)-1-[3-[(2-chloro-5-fluorophenyl)methoxy]phenyl]ethanamine.
What is the SMILES notation for (1R)-1-[3-[(2-chloro-5-fluorophenyl)methoxy]phenyl]ethanamine?
The canonical SMILES for (1R)-1-[3-[(2-chloro-5-fluorophenyl)methoxy]phenyl]ethanamine is C[C@@H](N)c1cccc(OCc2cc(F)ccc2Cl)c1.
What is the InChIKey of (1R)-1-[3-[(2-chloro-5-fluorophenyl)methoxy]phenyl]ethanamine?
The InChIKey is IMDPFPQKYHPXSV-SNVBAGLBSA-N. The full InChI is InChI=1S/C15H15ClFNO/c1-10(18)11-3-2-4-14(8-11)19-9-12-7-13(17)5-6-15(12)16/h2-8,10H,9,18H2,1H3/t10-/m1/s1.
What are the key properties of (1R)-1-[3-[(2-chloro-5-fluorophenyl)methoxy]phenyl]ethanamine?
(1R)-1-[3-[(2-chloro-5-fluorophenyl)methoxy]phenyl]ethanamine has a molecular weight of 279.74 g/mol, XLogP of 4.08, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[3-[(2-chloro-5-fluorophenyl)methoxy]phenyl]ethanamine is sourced from PubChem (CID 102615235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).