1-(3-bromo-2,6-difluorophenyl)-2-methylpentan-2-amine

C12H16BrF2N — CID 106273555

IUPAC1-(3-bromo-2,6-difluorophenyl)-2-methylpentan-2-amine
SMILESCCCC(C)(N)Cc1c(F)ccc(Br)c1F
InChIInChI=1S/C12H16BrF2N/c1-3-6-12(2,16)7-8-10(14)5-4-9(13)11(8)15/h4-5H,3,6-7,16H2,1-2H3
InChIKeyUPPWAPMDAZXSSX-UHFFFAOYSA-N
MW292.17 g/mol
LogP3.79
Rot. Bonds4

About 1-(3-bromo-2,6-difluorophenyl)-2-methylpentan-2-amine

1-(3-bromo-2,6-difluorophenyl)-2-methylpentan-2-amine (PubChem CID 106273555) has the molecular formula C12H16BrF2N and a molecular weight of 292.17 g/mol. Its IUPAC name is 1-(3-bromo-2,6-difluorophenyl)-2-methylpentan-2-amine.

Molecular Properties

Compound Name1-(3-bromo-2,6-difluorophenyl)-2-methylpentan-2-amine
PubChem CID106273555
Molecular FormulaC12H16BrF2N
Molecular Weight292.17 g/mol
Exact Mass291.04
IUPAC Name1-(3-bromo-2,6-difluorophenyl)-2-methylpentan-2-amine
SMILESCCCC(C)(N)Cc1c(F)ccc(Br)c1F
InChIInChI=1S/C12H16BrF2N/c1-3-6-12(2,16)7-8-10(14)5-4-9(13)11(8)15/h4-5H,3,6-7,16H2,1-2H3
InChIKeyUPPWAPMDAZXSSX-UHFFFAOYSA-N
XLogP3.79
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.17
LogP ≤ 53.79
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)methyl]-2-propylpropane-1,3-diol
CID 106273886
2-[(3-bromo-2,6-difluorophenyl)methyl]-N,2-dimethylpentan-1-amine
CID 114166681
2-[(3-bromo-2,6-difluorophenyl)methyl]-N-ethyl-2-methylpentan-1-amine
CID 106271410
3-[(3-bromo-2,6-difluorophenyl)methyl]pentan-3-ol
CID 106265112
2-[(3-bromo-2,6-difluorophenyl)methyl]-2-ethylbutan-1-amine
CID 106271309
1-(3-bromo-2,6-difluorophenyl)-2-(2-bromophenyl)propan-2-amine
CID 106265824
1-(2-bromo-5-fluorophenyl)-2-methylpentan-2-amine
CID 65020022
1-(5-bromo-2-fluorophenyl)-2-methylpentan-2-amine
CID 65020142
2-[(3-bromo-2,6-difluorophenyl)methyl]-3-ethoxy-2-methyl-3-oxopropanoic acid
CID 106273990
2-(aminomethyl)-3-(3-bromo-2,6-difluorophenyl)-2-methylpropan-1-ol
CID 106272229
1-(3-bromo-2,6-difluorophenyl)-3-methoxy-2-methylpropan-2-ol
CID 106265143
4-(3-bromo-2,6-difluorophenyl)-N-tert-butyl-3,3-dimethylbutan-1-amine
CID 106273338

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-2,6-difluorophenyl)-2-methylpentan-2-amine?
The IUPAC name of 1-(3-bromo-2,6-difluorophenyl)-2-methylpentan-2-amine (CID 106273555) is 1-(3-bromo-2,6-difluorophenyl)-2-methylpentan-2-amine.
What is the SMILES notation for 1-(3-bromo-2,6-difluorophenyl)-2-methylpentan-2-amine?
The canonical SMILES for 1-(3-bromo-2,6-difluorophenyl)-2-methylpentan-2-amine is CCCC(C)(N)Cc1c(F)ccc(Br)c1F.
What is the InChIKey of 1-(3-bromo-2,6-difluorophenyl)-2-methylpentan-2-amine?
The InChIKey is UPPWAPMDAZXSSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrF2N/c1-3-6-12(2,16)7-8-10(14)5-4-9(13)11(8)15/h4-5H,3,6-7,16H2,1-2H3.
What are the key properties of 1-(3-bromo-2,6-difluorophenyl)-2-methylpentan-2-amine?
1-(3-bromo-2,6-difluorophenyl)-2-methylpentan-2-amine has a molecular weight of 292.17 g/mol, XLogP of 3.79, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-2,6-difluorophenyl)-2-methylpentan-2-amine is sourced from PubChem (CID 106273555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).