1-(2-bromo-3,4-difluorophenyl)-2-(4-bromophenyl)ethanamine

C14H11Br2F2N — CID 107538761

IUPAC1-(2-bromo-3,4-difluorophenyl)-2-(4-bromophenyl)ethanamine
SMILESNC(Cc1ccc(Br)cc1)c1ccc(F)c(F)c1Br
InChIInChI=1S/C14H11Br2F2N/c15-9-3-1-8(2-4-9)7-12(19)10-5-6-11(17)14(18)13(10)16/h1-6,12H,7,19H2
InChIKeyODUOGXVYXRZERI-UHFFFAOYSA-N
MW391.05 g/mol
LogP4.73
Rot. Bonds3

About 1-(2-bromo-3,4-difluorophenyl)-2-(4-bromophenyl)ethanamine

1-(2-bromo-3,4-difluorophenyl)-2-(4-bromophenyl)ethanamine (PubChem CID 107538761) has the molecular formula C14H11Br2F2N and a molecular weight of 391.05 g/mol. Its IUPAC name is 1-(2-bromo-3,4-difluorophenyl)-2-(4-bromophenyl)ethanamine.

Molecular Properties

Compound Name1-(2-bromo-3,4-difluorophenyl)-2-(4-bromophenyl)ethanamine
PubChem CID107538761
Molecular FormulaC14H11Br2F2N
Molecular Weight391.05 g/mol
Exact Mass388.92
IUPAC Name1-(2-bromo-3,4-difluorophenyl)-2-(4-bromophenyl)ethanamine
SMILESNC(Cc1ccc(Br)cc1)c1ccc(F)c(F)c1Br
InChIInChI=1S/C14H11Br2F2N/c15-9-3-1-8(2-4-9)7-12(19)10-5-6-11(17)14(18)13(10)16/h1-6,12H,7,19H2
InChIKeyODUOGXVYXRZERI-UHFFFAOYSA-N
XLogP4.73
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.05
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

2-(4-ethylphenyl)-1-(2,3,4-trifluorophenyl)ethanamine
CID 115803114
2-(4-bromophenyl)-1-(2-fluoro-3-methylphenyl)ethanamine
CID 81477646
1-(2-bromo-3,4-difluorophenyl)-3-ethylpentan-1-amine
CID 107538885
1-(2-bromo-3,4-difluorophenyl)-2-(4-chlorophenyl)ethanol
CID 107538431
1-(2-bromo-3,4-difluorophenyl)-2-(2-chloro-4-methylphenyl)ethanamine
CID 107538663
2-(4-bromophenyl)-1-(2-fluoro-4-methoxyphenyl)ethanamine
CID 43561233
2-(4-bromophenyl)-1-(2,4,6-trifluorophenyl)ethanamine
CID 43198672
1-(2-bromo-3,4-difluorophenyl)-2-(1-methylpyrazol-3-yl)ethanamine
CID 107538743
1-(4-bromo-2-fluorophenyl)-2-(4-propan-2-ylphenyl)ethanamine
CID 114906232
2-(5-bromo-3-pyridinyl)-1-(2,3,4-trifluorophenyl)ethanamine
CID 105036649
1-(4-bromo-2-chlorophenyl)-2-(3-chloro-4-fluorophenyl)ethanamine
CID 103043078
(1S)-1-(2-bromo-3,4-difluorophenyl)ethanamine
CID 103739050

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-3,4-difluorophenyl)-2-(4-bromophenyl)ethanamine?
The IUPAC name of 1-(2-bromo-3,4-difluorophenyl)-2-(4-bromophenyl)ethanamine (CID 107538761) is 1-(2-bromo-3,4-difluorophenyl)-2-(4-bromophenyl)ethanamine.
What is the SMILES notation for 1-(2-bromo-3,4-difluorophenyl)-2-(4-bromophenyl)ethanamine?
The canonical SMILES for 1-(2-bromo-3,4-difluorophenyl)-2-(4-bromophenyl)ethanamine is NC(Cc1ccc(Br)cc1)c1ccc(F)c(F)c1Br.
What is the InChIKey of 1-(2-bromo-3,4-difluorophenyl)-2-(4-bromophenyl)ethanamine?
The InChIKey is ODUOGXVYXRZERI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Br2F2N/c15-9-3-1-8(2-4-9)7-12(19)10-5-6-11(17)14(18)13(10)16/h1-6,12H,7,19H2.
What are the key properties of 1-(2-bromo-3,4-difluorophenyl)-2-(4-bromophenyl)ethanamine?
1-(2-bromo-3,4-difluorophenyl)-2-(4-bromophenyl)ethanamine has a molecular weight of 391.05 g/mol, XLogP of 4.73, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-3,4-difluorophenyl)-2-(4-bromophenyl)ethanamine is sourced from PubChem (CID 107538761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).