N-[(3-bromophenyl)methyl]-1-(3,4-difluorophenyl)ethanamine

C15H14BrF2N — CID 43221580

IUPACN-[(3-bromophenyl)methyl]-1-(3,4-difluorophenyl)ethanamine
SMILESCC(NCc1cccc(Br)c1)c1ccc(F)c(F)c1
InChIInChI=1S/C15H14BrF2N/c1-10(12-5-6-14(17)15(18)8-12)19-9-11-3-2-4-13(16)7-11/h2-8,10,19H,9H2,1H3
InChIKeyYXXDKWBBJUOFON-UHFFFAOYSA-N
MW326.18 g/mol
LogP4.58
Rot. Bonds4

About N-[(3-bromophenyl)methyl]-1-(3,4-difluorophenyl)ethanamine

N-[(3-bromophenyl)methyl]-1-(3,4-difluorophenyl)ethanamine (PubChem CID 43221580) has the molecular formula C15H14BrF2N and a molecular weight of 326.18 g/mol. Its IUPAC name is N-[(3-bromophenyl)methyl]-1-(3,4-difluorophenyl)ethanamine.

Molecular Properties

Compound NameN-[(3-bromophenyl)methyl]-1-(3,4-difluorophenyl)ethanamine
PubChem CID43221580
Molecular FormulaC15H14BrF2N
Molecular Weight326.18 g/mol
Exact Mass325.03
IUPAC NameN-[(3-bromophenyl)methyl]-1-(3,4-difluorophenyl)ethanamine
SMILESCC(NCc1cccc(Br)c1)c1ccc(F)c(F)c1
InChIInChI=1S/C15H14BrF2N/c1-10(12-5-6-14(17)15(18)8-12)19-9-11-3-2-4-13(16)7-11/h2-8,10,19H,9H2,1H3
InChIKeyYXXDKWBBJUOFON-UHFFFAOYSA-N
XLogP4.58
TPSA12.03 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 ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3-bromo-4-fluorophenyl)-N-[(3-bromophenyl)methyl]ethanamine
CID 61401322
(1R)-N-[(3-bromophenyl)methyl]-1-(4-chlorophenyl)ethanamine
CID 28645148
(1S)-N-[(3-bromophenyl)methyl]-1-(4-methylphenyl)ethanamine
CID 81349778
N-[(3-bromophenyl)methyl]-1-phenylethanamine
CID 2756844
(1S)-N-[(4-bromo-3-fluorophenyl)methyl]-1-(3-bromophenyl)ethanamine
CID 81437241
N-[(3-bromophenyl)methyl]-1-[3-(trifluoromethyl)phenyl]ethanamine
CID 43221563
1-(3,4-difluorophenyl)-N-[(4-fluoro-3-methylphenyl)methyl]ethanamine
CID 62121099
2,6-dibromo-4-[[1-(3,4-difluorophenyl)ethylamino]methyl]phenol
CID 103602829
(1S)-N-[(3,4-difluorophenyl)methyl]-1-(3-fluorophenyl)ethanamine
CID 28682654
1-(3-bromophenyl)-N-[(2,4,5-trifluorophenyl)methyl]ethanamine
CID 103792453
(1S)-1-(3-bromophenyl)-N-[(3-fluoro-4-methoxyphenyl)methyl]ethanamine
CID 81382171
1-(3,4-difluorophenyl)-N-[(2,6-dimethylphenyl)methyl]ethanamine
CID 81301146

Frequently Asked Questions

What is the IUPAC name of N-[(3-bromophenyl)methyl]-1-(3,4-difluorophenyl)ethanamine?
The IUPAC name of N-[(3-bromophenyl)methyl]-1-(3,4-difluorophenyl)ethanamine (CID 43221580) is N-[(3-bromophenyl)methyl]-1-(3,4-difluorophenyl)ethanamine.
What is the SMILES notation for N-[(3-bromophenyl)methyl]-1-(3,4-difluorophenyl)ethanamine?
The canonical SMILES for N-[(3-bromophenyl)methyl]-1-(3,4-difluorophenyl)ethanamine is CC(NCc1cccc(Br)c1)c1ccc(F)c(F)c1.
What is the InChIKey of N-[(3-bromophenyl)methyl]-1-(3,4-difluorophenyl)ethanamine?
The InChIKey is YXXDKWBBJUOFON-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrF2N/c1-10(12-5-6-14(17)15(18)8-12)19-9-11-3-2-4-13(16)7-11/h2-8,10,19H,9H2,1H3.
What are the key properties of N-[(3-bromophenyl)methyl]-1-(3,4-difluorophenyl)ethanamine?
N-[(3-bromophenyl)methyl]-1-(3,4-difluorophenyl)ethanamine has a molecular weight of 326.18 g/mol, XLogP of 4.58, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-bromophenyl)methyl]-1-(3,4-difluorophenyl)ethanamine is sourced from PubChem (CID 43221580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).