1-(3-bromo-4-fluoro-2,6-dimethylphenyl)propan-2-amine

C11H15BrFN — CID 130980809

IUPAC1-(3-bromo-4-fluoro-2,6-dimethylphenyl)propan-2-amine
SMILESCc1cc(F)c(Br)c(C)c1CC(C)N
InChIInChI=1S/C11H15BrFN/c1-6-4-10(13)11(12)8(3)9(6)5-7(2)14/h4,7H,5,14H2,1-3H3
InChIKeyDFMIZHXOTODHDN-UHFFFAOYSA-N
MW260.15 g/mol
LogP3.09
Rot. Bonds2

About 1-(3-bromo-4-fluoro-2,6-dimethylphenyl)propan-2-amine

1-(3-bromo-4-fluoro-2,6-dimethylphenyl)propan-2-amine (PubChem CID 130980809) has the molecular formula C11H15BrFN and a molecular weight of 260.15 g/mol. Its IUPAC name is 1-(3-bromo-4-fluoro-2,6-dimethylphenyl)propan-2-amine.

Molecular Properties

Compound Name1-(3-bromo-4-fluoro-2,6-dimethylphenyl)propan-2-amine
PubChem CID130980809
Molecular FormulaC11H15BrFN
Molecular Weight260.15 g/mol
Exact Mass259.04
IUPAC Name1-(3-bromo-4-fluoro-2,6-dimethylphenyl)propan-2-amine
SMILESCc1cc(F)c(Br)c(C)c1CC(C)N
InChIInChI=1S/C11H15BrFN/c1-6-4-10(13)11(12)8(3)9(6)5-7(2)14/h4,7H,5,14H2,1-3H3
InChIKeyDFMIZHXOTODHDN-UHFFFAOYSA-N
XLogP3.09
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.15
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2-bromo-3,6-difluorophenyl)propan-2-amine
CID 127010991
4-(2-aminopropyl)-2,3,5-trimethylphenol
CID 117111308
1-[3-fluoro-4-(fluoromethyl)-5-methylphenyl]propan-2-amine
CID 117288723
3-bromo-4-fluoro-2,6-dimethylaniline;ethane
CID 168927832
4-(2-aminopropyl)-2-chloro-3,5-dimethylphenol
CID 117304826
2-(2-aminopropyl)-4-bromo-3,6-dimethylphenol
CID 117398502
4-(2-aminopropyl)-3-bromo-5-fluoro-2-methoxyphenol
CID 117445537
1-(2-bromo-3-fluoro-6-methoxyphenyl)propan-2-amine
CID 83902067
1-(5-bromo-2,3-dimethoxy-4,6-dimethylphenyl)propan-2-amine
CID 117486813
1-(5-chloro-2-fluoro-4-methylphenyl)propan-2-amine
CID 117290515
(2-bromo-3-fluoro-5,6-dimethylphenyl)methanol
CID 84696348
1-(4-bromo-3-fluoro-5-methylphenyl)ethanamine
CID 129130079

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-4-fluoro-2,6-dimethylphenyl)propan-2-amine?
The IUPAC name of 1-(3-bromo-4-fluoro-2,6-dimethylphenyl)propan-2-amine (CID 130980809) is 1-(3-bromo-4-fluoro-2,6-dimethylphenyl)propan-2-amine.
What is the SMILES notation for 1-(3-bromo-4-fluoro-2,6-dimethylphenyl)propan-2-amine?
The canonical SMILES for 1-(3-bromo-4-fluoro-2,6-dimethylphenyl)propan-2-amine is Cc1cc(F)c(Br)c(C)c1CC(C)N.
What is the InChIKey of 1-(3-bromo-4-fluoro-2,6-dimethylphenyl)propan-2-amine?
The InChIKey is DFMIZHXOTODHDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrFN/c1-6-4-10(13)11(12)8(3)9(6)5-7(2)14/h4,7H,5,14H2,1-3H3.
What are the key properties of 1-(3-bromo-4-fluoro-2,6-dimethylphenyl)propan-2-amine?
1-(3-bromo-4-fluoro-2,6-dimethylphenyl)propan-2-amine has a molecular weight of 260.15 g/mol, XLogP of 3.09, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-4-fluoro-2,6-dimethylphenyl)propan-2-amine is sourced from PubChem (CID 130980809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).