2-(3-bromo-2,6-difluorophenyl)-1-(3,5-dimethylphenyl)ethanamine

C16H16BrF2N — CID 106274038

IUPAC2-(3-bromo-2,6-difluorophenyl)-1-(3,5-dimethylphenyl)ethanamine
SMILESCc1cc(C)cc(C(N)Cc2c(F)ccc(Br)c2F)c1
InChIInChI=1S/C16H16BrF2N/c1-9-5-10(2)7-11(6-9)15(20)8-12-14(18)4-3-13(17)16(12)19/h3-7,15H,8,20H2,1-2H3
InChIKeyCVCZWSHOYFOYDM-UHFFFAOYSA-N
MW340.21 g/mol
LogP4.59
Rot. Bonds3

About 2-(3-bromo-2,6-difluorophenyl)-1-(3,5-dimethylphenyl)ethanamine

2-(3-bromo-2,6-difluorophenyl)-1-(3,5-dimethylphenyl)ethanamine (PubChem CID 106274038) has the molecular formula C16H16BrF2N and a molecular weight of 340.21 g/mol. Its IUPAC name is 2-(3-bromo-2,6-difluorophenyl)-1-(3,5-dimethylphenyl)ethanamine.

Molecular Properties

Compound Name2-(3-bromo-2,6-difluorophenyl)-1-(3,5-dimethylphenyl)ethanamine
PubChem CID106274038
Molecular FormulaC16H16BrF2N
Molecular Weight340.21 g/mol
Exact Mass339.04
IUPAC Name2-(3-bromo-2,6-difluorophenyl)-1-(3,5-dimethylphenyl)ethanamine
SMILESCc1cc(C)cc(C(N)Cc2c(F)ccc(Br)c2F)c1
InChIInChI=1S/C16H16BrF2N/c1-9-5-10(2)7-11(6-9)15(20)8-12-14(18)4-3-13(17)16(12)19/h3-7,15H,8,20H2,1-2H3
InChIKeyCVCZWSHOYFOYDM-UHFFFAOYSA-N
XLogP4.59
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.21
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

2-(3-bromo-2,6-difluorophenyl)-1-(3-chloro-5-methylphenyl)ethanamine
CID 106273635
2-(3-bromo-2,6-difluorophenyl)-1-(3-bromo-5-fluorophenyl)ethanamine
CID 106267811
2-(3-bromo-2,6-difluorophenyl)-1-(4-chlorophenyl)ethanamine
CID 106266780
4-[1-amino-2-(3-bromo-2,6-difluorophenyl)ethyl]-N,N-dimethylaniline
CID 106274213
2-(3-bromo-2,6-difluorophenyl)-1-(3,5-dimethyl-2-pyridinyl)ethanamine
CID 106268375
2-(3-bromo-2,6-difluorophenyl)-1-(4-bromo-2-fluorophenyl)ethanamine
CID 106268783
2-(3-bromo-2,6-difluorophenyl)-1-(2,3-dimethylphenyl)ethanamine
CID 106273742
2-(3-bromo-2,6-difluorophenyl)-1-(3-methylthiophen-2-yl)ethanamine
CID 106274016
2-(3-bromo-2,6-difluorophenyl)-1-(4-methylthiophen-3-yl)ethanamine
CID 106268120
2-(4-bromo-2-fluorophenyl)-1-(3,5-dimethylphenyl)ethanamine
CID 115844396
2-(5-chloro-2-fluorophenyl)-1-(3,5-dimethylphenyl)ethanamine
CID 103053134
2-(3-bromo-2,6-difluorophenyl)-1-(2-methoxyphenyl)ethanamine
CID 106266739

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-2,6-difluorophenyl)-1-(3,5-dimethylphenyl)ethanamine?
The IUPAC name of 2-(3-bromo-2,6-difluorophenyl)-1-(3,5-dimethylphenyl)ethanamine (CID 106274038) is 2-(3-bromo-2,6-difluorophenyl)-1-(3,5-dimethylphenyl)ethanamine.
What is the SMILES notation for 2-(3-bromo-2,6-difluorophenyl)-1-(3,5-dimethylphenyl)ethanamine?
The canonical SMILES for 2-(3-bromo-2,6-difluorophenyl)-1-(3,5-dimethylphenyl)ethanamine is Cc1cc(C)cc(C(N)Cc2c(F)ccc(Br)c2F)c1.
What is the InChIKey of 2-(3-bromo-2,6-difluorophenyl)-1-(3,5-dimethylphenyl)ethanamine?
The InChIKey is CVCZWSHOYFOYDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrF2N/c1-9-5-10(2)7-11(6-9)15(20)8-12-14(18)4-3-13(17)16(12)19/h3-7,15H,8,20H2,1-2H3.
What are the key properties of 2-(3-bromo-2,6-difluorophenyl)-1-(3,5-dimethylphenyl)ethanamine?
2-(3-bromo-2,6-difluorophenyl)-1-(3,5-dimethylphenyl)ethanamine has a molecular weight of 340.21 g/mol, XLogP of 4.59, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-2,6-difluorophenyl)-1-(3,5-dimethylphenyl)ethanamine is sourced from PubChem (CID 106274038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).