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

C12H16BrF2N — CID 106941584

IUPAC3-(3-bromo-2,6-difluorophenyl)-2-methylpentan-3-amine
SMILESCCC(N)(c1c(F)ccc(Br)c1F)C(C)C
InChIInChI=1S/C12H16BrF2N/c1-4-12(16,7(2)3)10-9(14)6-5-8(13)11(10)15/h5-7H,4,16H2,1-3H3
InChIKeyZNKRRPPPXFUPRD-UHFFFAOYSA-N
MW292.17 g/mol
LogP3.95
Rot. Bonds3

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

3-(3-bromo-2,6-difluorophenyl)-2-methylpentan-3-amine (PubChem CID 106941584) has the molecular formula C12H16BrF2N and a molecular weight of 292.17 g/mol. Its IUPAC name is 3-(3-bromo-2,6-difluorophenyl)-2-methylpentan-3-amine.

Molecular Properties

Compound Name3-(3-bromo-2,6-difluorophenyl)-2-methylpentan-3-amine
PubChem CID106941584
Molecular FormulaC12H16BrF2N
Molecular Weight292.17 g/mol
Exact Mass291.04
IUPAC Name3-(3-bromo-2,6-difluorophenyl)-2-methylpentan-3-amine
SMILESCCC(N)(c1c(F)ccc(Br)c1F)C(C)C
InChIInChI=1S/C12H16BrF2N/c1-4-12(16,7(2)3)10-9(14)6-5-8(13)11(10)15/h5-7H,4,16H2,1-3H3
InChIKeyZNKRRPPPXFUPRD-UHFFFAOYSA-N
XLogP3.95
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.17
LogP ≤ 53.95
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)-3-methylpentan-2-amine
CID 106941583
1-(3-bromo-2,6-difluorophenyl)-1-(3-fluorophenyl)propan-1-amine
CID 106941629
3-(2-fluorophenyl)-2-methylpentan-3-amine
CID 62501287
4-(3-bromo-2,6-difluorophenyl)heptan-4-ol
CID 106941520
3-(4-fluoro-3-methylphenyl)-2-methylpentan-3-amine
CID 62791449
4-(3-bromo-2,6-difluorophenyl)butan-2-amine
CID 106943489
2-(3-bromo-2,6-difluorophenyl)-1-(ethylamino)propan-2-ol
CID 106943818
2-(2-bromo-6-fluorophenyl)-2,3-dimethylbutan-1-amine
CID 117048016
3-amino-2-(3-bromo-2,6-difluorophenyl)-1,1,1-trifluoropropan-2-ol
CID 106943453
2-(3-bromo-2,6-difluorophenyl)propan-1-amine
CID 106943854
1-(3-bromo-2,6-difluorophenyl)-1-(3-bromophenyl)ethanamine
CID 106941571
1-(3-bromo-2,6-difluorophenyl)-1-(3-fluorophenyl)ethanamine
CID 106941565

Frequently Asked Questions

What is the IUPAC name of 3-(3-bromo-2,6-difluorophenyl)-2-methylpentan-3-amine?
The IUPAC name of 3-(3-bromo-2,6-difluorophenyl)-2-methylpentan-3-amine (CID 106941584) is 3-(3-bromo-2,6-difluorophenyl)-2-methylpentan-3-amine.
What is the SMILES notation for 3-(3-bromo-2,6-difluorophenyl)-2-methylpentan-3-amine?
The canonical SMILES for 3-(3-bromo-2,6-difluorophenyl)-2-methylpentan-3-amine is CCC(N)(c1c(F)ccc(Br)c1F)C(C)C.
What is the InChIKey of 3-(3-bromo-2,6-difluorophenyl)-2-methylpentan-3-amine?
The InChIKey is ZNKRRPPPXFUPRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrF2N/c1-4-12(16,7(2)3)10-9(14)6-5-8(13)11(10)15/h5-7H,4,16H2,1-3H3.
What are the key properties of 3-(3-bromo-2,6-difluorophenyl)-2-methylpentan-3-amine?
3-(3-bromo-2,6-difluorophenyl)-2-methylpentan-3-amine has a molecular weight of 292.17 g/mol, XLogP of 3.95, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-bromo-2,6-difluorophenyl)-2-methylpentan-3-amine is sourced from PubChem (CID 106941584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).