N-[(4-bromo-2-fluorophenyl)methyl]-2,2-dimethylcyclopropan-1-amine

C12H15BrFN — CID 61222285

IUPACN-[(4-bromo-2-fluorophenyl)methyl]-2,2-dimethylcyclopropan-1-amine
SMILESCC1(C)CC1NCc1ccc(Br)cc1F
InChIInChI=1S/C12H15BrFN/c1-12(2)6-11(12)15-7-8-3-4-9(13)5-10(8)14/h3-5,11,15H,6-7H2,1-2H3
InChIKeyYPZMJIZWWPPSDS-UHFFFAOYSA-N
MW272.16 g/mol
LogP3.48
Rot. Bonds3

About N-[(4-bromo-2-fluorophenyl)methyl]-2,2-dimethylcyclopropan-1-amine

N-[(4-bromo-2-fluorophenyl)methyl]-2,2-dimethylcyclopropan-1-amine (PubChem CID 61222285) has the molecular formula C12H15BrFN and a molecular weight of 272.16 g/mol. Its IUPAC name is N-[(4-bromo-2-fluorophenyl)methyl]-2,2-dimethylcyclopropan-1-amine.

Molecular Properties

Compound NameN-[(4-bromo-2-fluorophenyl)methyl]-2,2-dimethylcyclopropan-1-amine
PubChem CID61222285
Molecular FormulaC12H15BrFN
Molecular Weight272.16 g/mol
Exact Mass271.04
IUPAC NameN-[(4-bromo-2-fluorophenyl)methyl]-2,2-dimethylcyclopropan-1-amine
SMILESCC1(C)CC1NCc1ccc(Br)cc1F
InChIInChI=1S/C12H15BrFN/c1-12(2)6-11(12)15-7-8-3-4-9(13)5-10(8)14/h3-5,11,15H,6-7H2,1-2H3
InChIKeyYPZMJIZWWPPSDS-UHFFFAOYSA-N
XLogP3.48
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.16
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(5-bromo-2-fluorophenyl)methyl]-2,2-dimethylcyclopropan-1-amine
CID 61221751
N-[(4-bromo-2-fluorophenyl)methyl]-3,3,5,5-tetramethylcyclohexan-1-amine
CID 103965550
N-[(4-bromo-2-fluorophenyl)methyl]-2,2,6,6-tetramethylpiperidin-4-amine
CID 43242863
1-(4-bromo-2-fluorophenyl)-N-methylmethanamine
CID 43090177
N-[(4-bromo-2-fluorophenyl)methyl]-1-methylcyclobutan-1-amine
CID 115765891
N-[(4-bromo-2-fluorophenyl)methyl]-3-methylcyclohexan-1-amine
CID 43317429
N-[(4-bromo-2-fluorophenyl)methyl]-3-methylbutan-2-amine
CID 43242831
4-bromo-3-[[(2,2-dimethylcyclopropyl)amino]methyl]aniline
CID 115297673
N-[(4-bromo-2-fluorophenyl)methyl]ethanamine;ethane
CID 143672674
1-[4-[(4-bromo-2-fluorophenyl)methylamino]piperidin-1-yl]ethanone
CID 43224288
N-[(4-bromo-2-fluorophenyl)methyl]-1-cyclopropylmethanamine
CID 43364189
N-[(2,4-difluorophenyl)methyl]-2,2-dimethylcyclohexan-1-amine
CID 79835366

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromo-2-fluorophenyl)methyl]-2,2-dimethylcyclopropan-1-amine?
The IUPAC name of N-[(4-bromo-2-fluorophenyl)methyl]-2,2-dimethylcyclopropan-1-amine (CID 61222285) is N-[(4-bromo-2-fluorophenyl)methyl]-2,2-dimethylcyclopropan-1-amine.
What is the SMILES notation for N-[(4-bromo-2-fluorophenyl)methyl]-2,2-dimethylcyclopropan-1-amine?
The canonical SMILES for N-[(4-bromo-2-fluorophenyl)methyl]-2,2-dimethylcyclopropan-1-amine is CC1(C)CC1NCc1ccc(Br)cc1F.
What is the InChIKey of N-[(4-bromo-2-fluorophenyl)methyl]-2,2-dimethylcyclopropan-1-amine?
The InChIKey is YPZMJIZWWPPSDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrFN/c1-12(2)6-11(12)15-7-8-3-4-9(13)5-10(8)14/h3-5,11,15H,6-7H2,1-2H3.
What are the key properties of N-[(4-bromo-2-fluorophenyl)methyl]-2,2-dimethylcyclopropan-1-amine?
N-[(4-bromo-2-fluorophenyl)methyl]-2,2-dimethylcyclopropan-1-amine has a molecular weight of 272.16 g/mol, XLogP of 3.48, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromo-2-fluorophenyl)methyl]-2,2-dimethylcyclopropan-1-amine is sourced from PubChem (CID 61222285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).