3-(5-bromo-2-fluorophenoxy)-N,2-dimethylpropan-1-amine

C11H15BrFNO — CID 114674436

IUPAC3-(5-bromo-2-fluorophenoxy)-N,2-dimethylpropan-1-amine
SMILESCNCC(C)COc1cc(Br)ccc1F
InChIInChI=1S/C11H15BrFNO/c1-8(6-14-2)7-15-11-5-9(12)3-4-10(11)13/h3-5,8,14H,6-7H2,1-2H3
InChIKeyJHTYIACLFRYWBQ-UHFFFAOYSA-N
MW276.15 g/mol
LogP2.82
Rot. Bonds5

About 3-(5-bromo-2-fluorophenoxy)-N,2-dimethylpropan-1-amine

3-(5-bromo-2-fluorophenoxy)-N,2-dimethylpropan-1-amine (PubChem CID 114674436) has the molecular formula C11H15BrFNO and a molecular weight of 276.15 g/mol. Its IUPAC name is 3-(5-bromo-2-fluorophenoxy)-N,2-dimethylpropan-1-amine.

Molecular Properties

Compound Name3-(5-bromo-2-fluorophenoxy)-N,2-dimethylpropan-1-amine
PubChem CID114674436
Molecular FormulaC11H15BrFNO
Molecular Weight276.15 g/mol
Exact Mass275.03
IUPAC Name3-(5-bromo-2-fluorophenoxy)-N,2-dimethylpropan-1-amine
SMILESCNCC(C)COc1cc(Br)ccc1F
InChIInChI=1S/C11H15BrFNO/c1-8(6-14-2)7-15-11-5-9(12)3-4-10(11)13/h3-5,8,14H,6-7H2,1-2H3
InChIKeyJHTYIACLFRYWBQ-UHFFFAOYSA-N
XLogP2.82
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.15
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(5-bromo-2-fluorophenoxy)-N-tert-butyl-2-methylpropan-1-amine
CID 114674448
3-(5-bromo-2-methylphenoxy)-N,2-dimethylpropan-1-amine
CID 107285213
3-(2-fluoro-5-methylphenoxy)-N,2-dimethylpropan-1-amine
CID 64855623
3-(5-bromo-2-fluorophenoxy)-2-methylpropane-1-thiol
CID 114677242
2-(5-bromo-2-fluorophenoxy)-N-methylpentan-1-amine
CID 114676924
methyl 2-bromo-3-(5-bromo-2-fluorophenoxy)propanoate
CID 114671584
4-bromo-2-[2-(bromomethyl)-3,3-dimethylbutoxy]-1-fluorobenzene
CID 114672165
1-(5-bromo-2-fluorophenoxy)-2-methylpropan-2-ol
CID 99716802
2-(5-bromo-2-fluorophenyl)-N-methylpropan-1-amine
CID 82974107
3-(2-chloro-4-methylphenoxy)-N,2-dimethylpropan-1-amine
CID 62672408
2-[(5-bromo-2-fluorophenoxy)methyl]-3-methylbutane-1-sulfonyl chloride
CID 114677154
1-(4-bromo-2-propan-2-ylphenoxy)-3-(methylamino)propan-2-ol
CID 115401723

Frequently Asked Questions

What is the IUPAC name of 3-(5-bromo-2-fluorophenoxy)-N,2-dimethylpropan-1-amine?
The IUPAC name of 3-(5-bromo-2-fluorophenoxy)-N,2-dimethylpropan-1-amine (CID 114674436) is 3-(5-bromo-2-fluorophenoxy)-N,2-dimethylpropan-1-amine.
What is the SMILES notation for 3-(5-bromo-2-fluorophenoxy)-N,2-dimethylpropan-1-amine?
The canonical SMILES for 3-(5-bromo-2-fluorophenoxy)-N,2-dimethylpropan-1-amine is CNCC(C)COc1cc(Br)ccc1F.
What is the InChIKey of 3-(5-bromo-2-fluorophenoxy)-N,2-dimethylpropan-1-amine?
The InChIKey is JHTYIACLFRYWBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrFNO/c1-8(6-14-2)7-15-11-5-9(12)3-4-10(11)13/h3-5,8,14H,6-7H2,1-2H3.
What are the key properties of 3-(5-bromo-2-fluorophenoxy)-N,2-dimethylpropan-1-amine?
3-(5-bromo-2-fluorophenoxy)-N,2-dimethylpropan-1-amine has a molecular weight of 276.15 g/mol, XLogP of 2.82, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-bromo-2-fluorophenoxy)-N,2-dimethylpropan-1-amine is sourced from PubChem (CID 114674436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).