1-[5-chloro-2-(3,4-difluorophenoxy)phenyl]propan-2-amine

C15H14ClF2NO — CID 114863110

IUPAC1-[5-chloro-2-(3,4-difluorophenoxy)phenyl]propan-2-amine
SMILESCC(N)Cc1cc(Cl)ccc1Oc1ccc(F)c(F)c1
InChIInChI=1S/C15H14ClF2NO/c1-9(19)6-10-7-11(16)2-5-15(10)20-12-3-4-13(17)14(18)8-12/h2-5,7-9H,6,19H2,1H3
InChIKeyGBGKBWRGWFAMOY-UHFFFAOYSA-N
MW297.73 g/mol
LogP4.30
Rot. Bonds4

About 1-[5-chloro-2-(3,4-difluorophenoxy)phenyl]propan-2-amine

1-[5-chloro-2-(3,4-difluorophenoxy)phenyl]propan-2-amine (PubChem CID 114863110) has the molecular formula C15H14ClF2NO and a molecular weight of 297.73 g/mol. Its IUPAC name is 1-[5-chloro-2-(3,4-difluorophenoxy)phenyl]propan-2-amine.

Molecular Properties

Compound Name1-[5-chloro-2-(3,4-difluorophenoxy)phenyl]propan-2-amine
PubChem CID114863110
Molecular FormulaC15H14ClF2NO
Molecular Weight297.73 g/mol
Exact Mass297.07
IUPAC Name1-[5-chloro-2-(3,4-difluorophenoxy)phenyl]propan-2-amine
SMILESCC(N)Cc1cc(Cl)ccc1Oc1ccc(F)c(F)c1
InChIInChI=1S/C15H14ClF2NO/c1-9(19)6-10-7-11(16)2-5-15(10)20-12-3-4-13(17)14(18)8-12/h2-5,7-9H,6,19H2,1H3
InChIKeyGBGKBWRGWFAMOY-UHFFFAOYSA-N
XLogP4.30
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.73
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(3,4-difluorophenoxy)-5-fluorophenyl]propan-2-amine
CID 63802818
1-[2-(3-bromo-4-fluorophenoxy)-5-chlorophenyl]propan-2-amine
CID 114863443
[5-chloro-2-(3,4-difluorophenoxy)phenyl]methanamine
CID 62493344
1-[5-chloro-2-(4-fluoro-2-methylphenoxy)phenyl]propan-2-amine
CID 114863411
1-[2-(4-chloro-3-fluorophenoxy)phenyl]propan-2-amine
CID 82727101
1-[2-(2-bromo-4-fluorophenoxy)-5-chlorophenyl]propan-2-amine
CID 114862732
1-[5-chloro-2-(4-chloro-2,6-dimethylphenoxy)phenyl]propan-2-amine
CID 114862724
1-[2-(4-bromophenoxy)-4-chlorophenyl]propan-2-amine
CID 114862844
1-[5-chloro-2-[(2,4-difluorophenyl)methoxy]phenyl]propan-2-amine
CID 62196739
1-[2-(2,5-difluorophenoxy)-5-fluorophenyl]propan-2-amine
CID 63803167
1-(2-butan-2-yloxy-5-chlorophenyl)propan-2-amine
CID 60907849
1-[5-chloro-2-[(2-chloro-3-fluorophenyl)methoxy]phenyl]propan-2-amine
CID 115984032

Frequently Asked Questions

What is the IUPAC name of 1-[5-chloro-2-(3,4-difluorophenoxy)phenyl]propan-2-amine?
The IUPAC name of 1-[5-chloro-2-(3,4-difluorophenoxy)phenyl]propan-2-amine (CID 114863110) is 1-[5-chloro-2-(3,4-difluorophenoxy)phenyl]propan-2-amine.
What is the SMILES notation for 1-[5-chloro-2-(3,4-difluorophenoxy)phenyl]propan-2-amine?
The canonical SMILES for 1-[5-chloro-2-(3,4-difluorophenoxy)phenyl]propan-2-amine is CC(N)Cc1cc(Cl)ccc1Oc1ccc(F)c(F)c1.
What is the InChIKey of 1-[5-chloro-2-(3,4-difluorophenoxy)phenyl]propan-2-amine?
The InChIKey is GBGKBWRGWFAMOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClF2NO/c1-9(19)6-10-7-11(16)2-5-15(10)20-12-3-4-13(17)14(18)8-12/h2-5,7-9H,6,19H2,1H3.
What are the key properties of 1-[5-chloro-2-(3,4-difluorophenoxy)phenyl]propan-2-amine?
1-[5-chloro-2-(3,4-difluorophenoxy)phenyl]propan-2-amine has a molecular weight of 297.73 g/mol, XLogP of 4.30, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-chloro-2-(3,4-difluorophenoxy)phenyl]propan-2-amine is sourced from PubChem (CID 114863110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).