1-(3-bromo-2,6-difluorophenyl)-N-methylhexan-2-amine

C13H18BrF2N — CID 114166237

IUPAC1-(3-bromo-2,6-difluorophenyl)-N-methylhexan-2-amine
SMILESCCCCC(Cc1c(F)ccc(Br)c1F)NC
InChIInChI=1S/C13H18BrF2N/c1-3-4-5-9(17-2)8-10-12(15)7-6-11(14)13(10)16/h6-7,9,17H,3-5,8H2,1-2H3
InChIKeyDGLZSHKFYXQLLL-UHFFFAOYSA-N
MW306.19 g/mol
LogP4.05
Rot. Bonds6

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

1-(3-bromo-2,6-difluorophenyl)-N-methylhexan-2-amine (PubChem CID 114166237) has the molecular formula C13H18BrF2N and a molecular weight of 306.19 g/mol. Its IUPAC name is 1-(3-bromo-2,6-difluorophenyl)-N-methylhexan-2-amine.

Molecular Properties

Compound Name1-(3-bromo-2,6-difluorophenyl)-N-methylhexan-2-amine
PubChem CID114166237
Molecular FormulaC13H18BrF2N
Molecular Weight306.19 g/mol
Exact Mass305.06
IUPAC Name1-(3-bromo-2,6-difluorophenyl)-N-methylhexan-2-amine
SMILESCCCCC(Cc1c(F)ccc(Br)c1F)NC
InChIInChI=1S/C13H18BrF2N/c1-3-4-5-9(17-2)8-10-12(15)7-6-11(14)13(10)16/h6-7,9,17H,3-5,8H2,1-2H3
InChIKeyDGLZSHKFYXQLLL-UHFFFAOYSA-N
XLogP4.05
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.19
LogP ≤ 54.05
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

1-(3-bromo-2,6-difluorophenyl)-5-ethoxy-N-methylpentan-2-amine
CID 106273617
6-(3-bromo-2,6-difluorophenyl)-N-methylhexan-3-amine
CID 114166902
1-(3-bromo-2,6-difluorophenyl)-N-methyl-5-thiophen-2-ylpentan-2-amine
CID 106274231
1-(3-bromo-2,6-difluorophenyl)-3-methoxy-N-methylpropan-2-amine
CID 106267048
1-(3-bromo-2,6-difluorophenyl)-4-(2,2-difluoroethoxy)-N-methylbutan-2-amine
CID 106268855
1-(3-bromo-2,6-difluorophenyl)octan-2-amine
CID 106274291
1-(3-bromo-2,6-difluorophenyl)decan-2-amine
CID 106274012
1-(2,6-difluorophenyl)-N-methyloctan-2-amine
CID 114753002
[1-(3-bromo-2,6-difluorophenyl)-5-chloropentan-2-yl]hydrazine
CID 106271023
1-(3-bromo-4-fluorophenyl)-N-methylnonan-2-amine
CID 115819004
1-(3-bromo-2,6-difluorophenyl)-N-propylheptan-4-amine
CID 106272992
1-(3-bromo-2,6-difluorophenyl)-4,4-dimethyl-N-propylpentan-2-amine
CID 106267363

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-2,6-difluorophenyl)-N-methylhexan-2-amine?
The IUPAC name of 1-(3-bromo-2,6-difluorophenyl)-N-methylhexan-2-amine (CID 114166237) is 1-(3-bromo-2,6-difluorophenyl)-N-methylhexan-2-amine.
What is the SMILES notation for 1-(3-bromo-2,6-difluorophenyl)-N-methylhexan-2-amine?
The canonical SMILES for 1-(3-bromo-2,6-difluorophenyl)-N-methylhexan-2-amine is CCCCC(Cc1c(F)ccc(Br)c1F)NC.
What is the InChIKey of 1-(3-bromo-2,6-difluorophenyl)-N-methylhexan-2-amine?
The InChIKey is DGLZSHKFYXQLLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrF2N/c1-3-4-5-9(17-2)8-10-12(15)7-6-11(14)13(10)16/h6-7,9,17H,3-5,8H2,1-2H3.
What are the key properties of 1-(3-bromo-2,6-difluorophenyl)-N-methylhexan-2-amine?
1-(3-bromo-2,6-difluorophenyl)-N-methylhexan-2-amine has a molecular weight of 306.19 g/mol, XLogP of 4.05, 6 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)-N-methylhexan-2-amine is sourced from PubChem (CID 114166237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).