N-[(2-bromophenyl)-(3,4-difluorophenyl)methyl]ethanamine

C15H14BrF2N — CID 43491377

IUPACN-[(2-bromophenyl)-(3,4-difluorophenyl)methyl]ethanamine
SMILESCCNC(c1ccc(F)c(F)c1)c1ccccc1Br
InChIInChI=1S/C15H14BrF2N/c1-2-19-15(11-5-3-4-6-12(11)16)10-7-8-13(17)14(18)9-10/h3-9,15,19H,2H2,1H3
InChIKeyRAAQRBZOZPYICD-UHFFFAOYSA-N
MW326.18 g/mol
LogP4.43
Rot. Bonds4

About N-[(2-bromophenyl)-(3,4-difluorophenyl)methyl]ethanamine

N-[(2-bromophenyl)-(3,4-difluorophenyl)methyl]ethanamine (PubChem CID 43491377) has the molecular formula C15H14BrF2N and a molecular weight of 326.18 g/mol. Its IUPAC name is N-[(2-bromophenyl)-(3,4-difluorophenyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(2-bromophenyl)-(3,4-difluorophenyl)methyl]ethanamine
PubChem CID43491377
Molecular FormulaC15H14BrF2N
Molecular Weight326.18 g/mol
Exact Mass325.03
IUPAC NameN-[(2-bromophenyl)-(3,4-difluorophenyl)methyl]ethanamine
SMILESCCNC(c1ccc(F)c(F)c1)c1ccccc1Br
InChIInChI=1S/C15H14BrF2N/c1-2-19-15(11-5-3-4-6-12(11)16)10-7-8-13(17)14(18)9-10/h3-9,15,19H,2H2,1H3
InChIKeyRAAQRBZOZPYICD-UHFFFAOYSA-N
XLogP4.43
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 ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(2-bromofuran-3-yl)-(3,4-difluorophenyl)methyl]ethanamine
CID 106851633
N-[(2-bromophenyl)-(4-bromophenyl)methyl]ethanamine
CID 43488711
N-[(4-bromo-2-fluorophenyl)-(3,4-difluorophenyl)methyl]ethanamine
CID 43491332
N-[(2-bromophenyl)-(3,4-dichlorophenyl)methyl]ethanamine
CID 43492861
N-[(3-bromo-4-fluorophenyl)-(2-methoxyphenyl)methyl]ethanamine
CID 79747190
N-[(2,5-dibromothiophen-3-yl)-(3,4-difluorophenyl)methyl]ethanamine
CID 43493210
N-[(3,4-difluorophenyl)-(2,3,4-trifluorophenyl)methyl]ethanamine
CID 62964289
N-[(3-bromo-4-fluorophenyl)-(2-ethoxyphenyl)methyl]ethanamine
CID 79722958
N-[(5-bromofuran-2-yl)-(3,4-difluorophenyl)methyl]ethanamine
CID 43491302
N-[(3,4-difluorophenyl)-(2-methyl-3-pyridinyl)methyl]ethanamine
CID 105145632
N-[(4-bromo-2-chlorophenyl)-(3,4-difluorophenyl)methyl]ethanamine
CID 43805282
N-[(2-bromophenyl)-(4-tert-butylphenyl)methyl]ethanamine
CID 43491265

Frequently Asked Questions

What is the IUPAC name of N-[(2-bromophenyl)-(3,4-difluorophenyl)methyl]ethanamine?
The IUPAC name of N-[(2-bromophenyl)-(3,4-difluorophenyl)methyl]ethanamine (CID 43491377) is N-[(2-bromophenyl)-(3,4-difluorophenyl)methyl]ethanamine.
What is the SMILES notation for N-[(2-bromophenyl)-(3,4-difluorophenyl)methyl]ethanamine?
The canonical SMILES for N-[(2-bromophenyl)-(3,4-difluorophenyl)methyl]ethanamine is CCNC(c1ccc(F)c(F)c1)c1ccccc1Br.
What is the InChIKey of N-[(2-bromophenyl)-(3,4-difluorophenyl)methyl]ethanamine?
The InChIKey is RAAQRBZOZPYICD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrF2N/c1-2-19-15(11-5-3-4-6-12(11)16)10-7-8-13(17)14(18)9-10/h3-9,15,19H,2H2,1H3.
What are the key properties of N-[(2-bromophenyl)-(3,4-difluorophenyl)methyl]ethanamine?
N-[(2-bromophenyl)-(3,4-difluorophenyl)methyl]ethanamine has a molecular weight of 326.18 g/mol, XLogP of 4.43, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-bromophenyl)-(3,4-difluorophenyl)methyl]ethanamine is sourced from PubChem (CID 43491377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).