(1S)-1-[2-(5-bromo-2-fluorophenoxy)-5-fluorophenyl]ethanamine

C14H12BrF2NO — CID 104940716

IUPAC(1S)-1-[2-(5-bromo-2-fluorophenoxy)-5-fluorophenyl]ethanamine
SMILESC[C@H](N)c1cc(F)ccc1Oc1cc(Br)ccc1F
InChIInChI=1S/C14H12BrF2NO/c1-8(18)11-7-10(16)3-5-13(11)19-14-6-9(15)2-4-12(14)17/h2-8H,18H2,1H3/t8-/m0/s1
InChIKeyKHVPOJMVPWXYII-QMMMGPOBSA-N
MW328.16 g/mol
LogP4.54
Rot. Bonds3

About (1S)-1-[2-(5-bromo-2-fluorophenoxy)-5-fluorophenyl]ethanamine

(1S)-1-[2-(5-bromo-2-fluorophenoxy)-5-fluorophenyl]ethanamine (PubChem CID 104940716) has the molecular formula C14H12BrF2NO and a molecular weight of 328.16 g/mol. Its IUPAC name is (1S)-1-[2-(5-bromo-2-fluorophenoxy)-5-fluorophenyl]ethanamine.

Molecular Properties

Compound Name(1S)-1-[2-(5-bromo-2-fluorophenoxy)-5-fluorophenyl]ethanamine
PubChem CID104940716
Molecular FormulaC14H12BrF2NO
Molecular Weight328.16 g/mol
Exact Mass327.01
IUPAC Name(1S)-1-[2-(5-bromo-2-fluorophenoxy)-5-fluorophenyl]ethanamine
SMILESC[C@H](N)c1cc(F)ccc1Oc1cc(Br)ccc1F
InChIInChI=1S/C14H12BrF2NO/c1-8(18)11-7-10(16)3-5-13(11)19-14-6-9(15)2-4-12(14)17/h2-8H,18H2,1H3/t8-/m0/s1
InChIKeyKHVPOJMVPWXYII-QMMMGPOBSA-N
XLogP4.54
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.16
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1S)-1-[2-(4-bromo-2-fluorophenoxy)-5-fluorophenyl]ethanamine
CID 28971365
(1S)-1-[2-(4-bromo-2-nitrophenoxy)-5-fluorophenyl]ethanamine
CID 65429807
1-[2-(2,5-difluorophenoxy)phenyl]ethanamine
CID 55168326
(1S)-1-[2-(3-bromo-4-fluorophenoxy)-5-fluorophenyl]ethanamine
CID 83234046
2-(5-bromo-2-fluorophenoxy)-5-fluoroaniline
CID 114671678
1-[2-(3-bromo-5-fluorophenoxy)-5-fluorophenyl]ethanamine
CID 81331401
(1R)-1-[2-(4-chloro-2-methylphenoxy)-5-fluorophenyl]ethanamine
CID 29275289
1-[5-bromo-2-[(2,5-difluorophenyl)methoxy]phenyl]ethanamine
CID 62369042
1-[5-bromo-2-(2,5-difluorophenoxy)phenyl]-N-ethylethanamine
CID 82953582
2-[2-(1-aminoethyl)-4-bromophenoxy]-6-fluorobenzonitrile
CID 82975947
1-[5-bromo-2-(2-propan-2-ylphenoxy)phenyl]ethanamine
CID 82976372
(1S)-1-[2-(2-chloro-4-methylphenoxy)-5-fluorophenyl]ethanamine
CID 78938414

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[2-(5-bromo-2-fluorophenoxy)-5-fluorophenyl]ethanamine?
The IUPAC name of (1S)-1-[2-(5-bromo-2-fluorophenoxy)-5-fluorophenyl]ethanamine (CID 104940716) is (1S)-1-[2-(5-bromo-2-fluorophenoxy)-5-fluorophenyl]ethanamine.
What is the SMILES notation for (1S)-1-[2-(5-bromo-2-fluorophenoxy)-5-fluorophenyl]ethanamine?
The canonical SMILES for (1S)-1-[2-(5-bromo-2-fluorophenoxy)-5-fluorophenyl]ethanamine is C[C@H](N)c1cc(F)ccc1Oc1cc(Br)ccc1F.
What is the InChIKey of (1S)-1-[2-(5-bromo-2-fluorophenoxy)-5-fluorophenyl]ethanamine?
The InChIKey is KHVPOJMVPWXYII-QMMMGPOBSA-N. The full InChI is InChI=1S/C14H12BrF2NO/c1-8(18)11-7-10(16)3-5-13(11)19-14-6-9(15)2-4-12(14)17/h2-8H,18H2,1H3/t8-/m0/s1.
What are the key properties of (1S)-1-[2-(5-bromo-2-fluorophenoxy)-5-fluorophenyl]ethanamine?
(1S)-1-[2-(5-bromo-2-fluorophenoxy)-5-fluorophenyl]ethanamine has a molecular weight of 328.16 g/mol, XLogP of 4.54, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[2-(5-bromo-2-fluorophenoxy)-5-fluorophenyl]ethanamine is sourced from PubChem (CID 104940716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).