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

C13H18BrF2N — CID 114166902

IUPAC6-(3-bromo-2,6-difluorophenyl)-N-methylhexan-3-amine
SMILESCCC(CCCc1c(F)ccc(Br)c1F)NC
InChIInChI=1S/C13H18BrF2N/c1-3-9(17-2)5-4-6-10-12(15)8-7-11(14)13(10)16/h7-9,17H,3-6H2,1-2H3
InChIKeyGTJRLUCCSSHGIT-UHFFFAOYSA-N
MW306.19 g/mol
LogP4.05
Rot. Bonds6

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

6-(3-bromo-2,6-difluorophenyl)-N-methylhexan-3-amine (PubChem CID 114166902) has the molecular formula C13H18BrF2N and a molecular weight of 306.19 g/mol. Its IUPAC name is 6-(3-bromo-2,6-difluorophenyl)-N-methylhexan-3-amine.

Molecular Properties

Compound Name6-(3-bromo-2,6-difluorophenyl)-N-methylhexan-3-amine
PubChem CID114166902
Molecular FormulaC13H18BrF2N
Molecular Weight306.19 g/mol
Exact Mass305.06
IUPAC Name6-(3-bromo-2,6-difluorophenyl)-N-methylhexan-3-amine
SMILESCCC(CCCc1c(F)ccc(Br)c1F)NC
InChIInChI=1S/C13H18BrF2N/c1-3-9(17-2)5-4-6-10-12(15)8-7-11(14)13(10)16/h7-9,17H,3-6H2,1-2H3
InChIKeyGTJRLUCCSSHGIT-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)-N-methylhexan-2-amine
CID 114166237
1-(3-bromo-2,6-difluorophenyl)-N-propylheptan-4-amine
CID 106272992
3-(3-bromo-2,6-difluorophenyl)-N-methylpropan-1-amine
CID 106943498
N-[(3-bromo-2,6-difluorophenyl)methyl]hexan-3-amine
CID 106263388
1-(3-bromo-2,6-difluorophenyl)-5-ethoxy-N-methylpentan-2-amine
CID 106273617
1-(3-bromo-2,6-difluorophenyl)-N-methyl-5-thiophen-2-ylpentan-2-amine
CID 106274231
6-(3-bromo-2,6-difluorophenyl)-2,2-dimethylhexan-3-ol
CID 106273091
4-(3-bromo-2,6-difluorophenyl)-1-cyclopropyl-N-ethylbutan-1-amine
CID 106273011
6-(4-chloro-2-fluorophenyl)-N-methylhexan-3-amine
CID 114860039
N-[(3-bromo-2,6-difluorophenyl)methyl]-1-methoxybutan-2-amine
CID 114165683
1-(3-bromo-2,6-difluorophenyl)-3-methoxy-N-methylpropan-2-amine
CID 106267048
4-(3-bromo-2,6-difluorophenyl)butan-2-amine
CID 106943489

Frequently Asked Questions

What is the IUPAC name of 6-(3-bromo-2,6-difluorophenyl)-N-methylhexan-3-amine?
The IUPAC name of 6-(3-bromo-2,6-difluorophenyl)-N-methylhexan-3-amine (CID 114166902) is 6-(3-bromo-2,6-difluorophenyl)-N-methylhexan-3-amine.
What is the SMILES notation for 6-(3-bromo-2,6-difluorophenyl)-N-methylhexan-3-amine?
The canonical SMILES for 6-(3-bromo-2,6-difluorophenyl)-N-methylhexan-3-amine is CCC(CCCc1c(F)ccc(Br)c1F)NC.
What is the InChIKey of 6-(3-bromo-2,6-difluorophenyl)-N-methylhexan-3-amine?
The InChIKey is GTJRLUCCSSHGIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrF2N/c1-3-9(17-2)5-4-6-10-12(15)8-7-11(14)13(10)16/h7-9,17H,3-6H2,1-2H3.
What are the key properties of 6-(3-bromo-2,6-difluorophenyl)-N-methylhexan-3-amine?
6-(3-bromo-2,6-difluorophenyl)-N-methylhexan-3-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 6-(3-bromo-2,6-difluorophenyl)-N-methylhexan-3-amine is sourced from PubChem (CID 114166902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).