N-[(2-bromo-5-fluorophenyl)methyl]-2-methylpropan-1-amine

C11H15BrFN — CID 28566155

IUPACN-[(2-bromo-5-fluorophenyl)methyl]-2-methylpropan-1-amine
SMILESCC(C)CNCc1cc(F)ccc1Br
InChIInChI=1S/C11H15BrFN/c1-8(2)6-14-7-9-5-10(13)3-4-11(9)12/h3-5,8,14H,6-7H2,1-2H3
InChIKeyPPBQNJFNJCBOQI-UHFFFAOYSA-N
MW260.15 g/mol
LogP3.33
Rot. Bonds4

About N-[(2-bromo-5-fluorophenyl)methyl]-2-methylpropan-1-amine

N-[(2-bromo-5-fluorophenyl)methyl]-2-methylpropan-1-amine (PubChem CID 28566155) has the molecular formula C11H15BrFN and a molecular weight of 260.15 g/mol. Its IUPAC name is N-[(2-bromo-5-fluorophenyl)methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[(2-bromo-5-fluorophenyl)methyl]-2-methylpropan-1-amine
PubChem CID28566155
Molecular FormulaC11H15BrFN
Molecular Weight260.15 g/mol
Exact Mass259.04
IUPAC NameN-[(2-bromo-5-fluorophenyl)methyl]-2-methylpropan-1-amine
SMILESCC(C)CNCc1cc(F)ccc1Br
InChIInChI=1S/C11H15BrFN/c1-8(2)6-14-7-9-5-10(13)3-4-11(9)12/h3-5,8,14H,6-7H2,1-2H3
InChIKeyPPBQNJFNJCBOQI-UHFFFAOYSA-N
XLogP3.33
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.15
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(2R)-1-[(2-bromo-5-fluorophenyl)methylamino]propan-2-ol
CID 93083077
3-[(2-bromo-5-fluorophenyl)methylamino]-2-methylpropan-1-ol
CID 65036447
N-[(2-bromo-5-fluorophenyl)methyl]-2-phenylpropan-1-amine
CID 63452893
N-[(2-bromo-5-fluorophenyl)methyl]-5-methylhexan-1-amine
CID 113287438
4-(2-bromo-5-fluorophenyl)-3,3-dimethyl-N-(2-methylpropyl)butan-1-amine
CID 81035051
N-[(2-bromo-5-fluorophenyl)methyl]-1-(5-fluoro-2-methylphenyl)methanamine
CID 115967971
2-[(2-bromo-5-fluorophenyl)methyl]-2,3-dimethyl-N-(2-methylpropyl)butan-1-amine
CID 83151219
N-[(2-bromo-5-fluorophenyl)methyl]-5-methylhexan-2-amine
CID 63452803
1-(2-bromo-5-fluorophenyl)-N-methylmethanamine;hydrochloride
CID 86811714
N-[3-(2-bromo-5-fluorophenyl)-2-cyclopentylpropyl]-2-methylpropan-1-amine
CID 115926878
N-[(2-bromo-5-fluorophenyl)methyl]-1-(3,5-difluorophenyl)methanamine
CID 115767644
N-[(2-bromo-5-methylphenyl)methyl]-N'-(2-methylpropyl)ethane-1,2-diamine
CID 113405437

Frequently Asked Questions

What is the IUPAC name of N-[(2-bromo-5-fluorophenyl)methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[(2-bromo-5-fluorophenyl)methyl]-2-methylpropan-1-amine (CID 28566155) is N-[(2-bromo-5-fluorophenyl)methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[(2-bromo-5-fluorophenyl)methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[(2-bromo-5-fluorophenyl)methyl]-2-methylpropan-1-amine is CC(C)CNCc1cc(F)ccc1Br.
What is the InChIKey of N-[(2-bromo-5-fluorophenyl)methyl]-2-methylpropan-1-amine?
The InChIKey is PPBQNJFNJCBOQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrFN/c1-8(2)6-14-7-9-5-10(13)3-4-11(9)12/h3-5,8,14H,6-7H2,1-2H3.
What are the key properties of N-[(2-bromo-5-fluorophenyl)methyl]-2-methylpropan-1-amine?
N-[(2-bromo-5-fluorophenyl)methyl]-2-methylpropan-1-amine has a molecular weight of 260.15 g/mol, XLogP of 3.33, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-bromo-5-fluorophenyl)methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 28566155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).