3-(5-bromo-2-fluorophenyl)-2-(3-fluorophenyl)propan-1-amine

C15H14BrF2N — CID 79440610

IUPAC3-(5-bromo-2-fluorophenyl)-2-(3-fluorophenyl)propan-1-amine
SMILESNCC(Cc1cc(Br)ccc1F)c1cccc(F)c1
InChIInChI=1S/C15H14BrF2N/c16-13-4-5-15(18)11(7-13)6-12(9-19)10-2-1-3-14(17)8-10/h1-5,7-8,12H,6,9,19H2
InChIKeyRKVLLXOWIHVIRP-UHFFFAOYSA-N
MW326.18 g/mol
LogP4.01
Rot. Bonds4

About 3-(5-bromo-2-fluorophenyl)-2-(3-fluorophenyl)propan-1-amine

3-(5-bromo-2-fluorophenyl)-2-(3-fluorophenyl)propan-1-amine (PubChem CID 79440610) has the molecular formula C15H14BrF2N and a molecular weight of 326.18 g/mol. Its IUPAC name is 3-(5-bromo-2-fluorophenyl)-2-(3-fluorophenyl)propan-1-amine.

Molecular Properties

Compound Name3-(5-bromo-2-fluorophenyl)-2-(3-fluorophenyl)propan-1-amine
PubChem CID79440610
Molecular FormulaC15H14BrF2N
Molecular Weight326.18 g/mol
Exact Mass325.03
IUPAC Name3-(5-bromo-2-fluorophenyl)-2-(3-fluorophenyl)propan-1-amine
SMILESNCC(Cc1cc(Br)ccc1F)c1cccc(F)c1
InChIInChI=1S/C15H14BrF2N/c16-13-4-5-15(18)11(7-13)6-12(9-19)10-2-1-3-14(17)8-10/h1-5,7-8,12H,6,9,19H2
InChIKeyRKVLLXOWIHVIRP-UHFFFAOYSA-N
XLogP4.01
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.18
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-bromo-2-[3-chloro-2-(3-fluorophenyl)propyl]-1-fluorobenzene
CID 79433235
3-(4-chloro-2-fluorophenyl)-2-(3-fluorophenyl)propan-1-amine
CID 114858839
4-bromo-2-[2-(3-bromophenyl)-3-chloropropyl]-1-fluorobenzene
CID 79431234
3-(2-bromo-5-methoxyphenyl)-2-(3-fluorophenyl)propan-1-amine
CID 79440611
2-(3-bromophenyl)-3-(2,5-difluorophenyl)-N-methylpropan-1-amine
CID 79443064
3-(2-bromo-5-fluorophenyl)-2-(3-methylphenyl)propan-1-amine
CID 79416738
3-(5-bromo-2-fluorophenyl)-2-(3-bromophenyl)-N-ethylpropan-1-amine
CID 79430252
2-(4-chlorophenyl)-3-(2,5-difluorophenyl)propan-1-amine
CID 79441820
(2S)-3-amino-2-(3-fluorophenyl)propan-1-ol
CID 124510156
2-(3,4-difluorophenyl)-3-(3-fluorophenyl)propan-1-amine
CID 83973740
2-(3-fluorophenyl)-3-(4-iodophenyl)propan-1-amine
CID 79440307
3-(2-chloro-4-fluorophenyl)-2-(3-chlorophenyl)propan-1-amine
CID 79443118

Frequently Asked Questions

What is the IUPAC name of 3-(5-bromo-2-fluorophenyl)-2-(3-fluorophenyl)propan-1-amine?
The IUPAC name of 3-(5-bromo-2-fluorophenyl)-2-(3-fluorophenyl)propan-1-amine (CID 79440610) is 3-(5-bromo-2-fluorophenyl)-2-(3-fluorophenyl)propan-1-amine.
What is the SMILES notation for 3-(5-bromo-2-fluorophenyl)-2-(3-fluorophenyl)propan-1-amine?
The canonical SMILES for 3-(5-bromo-2-fluorophenyl)-2-(3-fluorophenyl)propan-1-amine is NCC(Cc1cc(Br)ccc1F)c1cccc(F)c1.
What is the InChIKey of 3-(5-bromo-2-fluorophenyl)-2-(3-fluorophenyl)propan-1-amine?
The InChIKey is RKVLLXOWIHVIRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrF2N/c16-13-4-5-15(18)11(7-13)6-12(9-19)10-2-1-3-14(17)8-10/h1-5,7-8,12H,6,9,19H2.
What are the key properties of 3-(5-bromo-2-fluorophenyl)-2-(3-fluorophenyl)propan-1-amine?
3-(5-bromo-2-fluorophenyl)-2-(3-fluorophenyl)propan-1-amine has a molecular weight of 326.18 g/mol, XLogP of 4.01, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-bromo-2-fluorophenyl)-2-(3-fluorophenyl)propan-1-amine is sourced from PubChem (CID 79440610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).