N-[(3-bromo-4-fluorophenyl)methyl]-2-methylcyclopropan-1-amine

C11H13BrFN — CID 62397492

IUPACN-[(3-bromo-4-fluorophenyl)methyl]-2-methylcyclopropan-1-amine
SMILESCC1CC1NCc1ccc(F)c(Br)c1
InChIInChI=1S/C11H13BrFN/c1-7-4-11(7)14-6-8-2-3-10(13)9(12)5-8/h2-3,5,7,11,14H,4,6H2,1H3
InChIKeyDMLJREYZKYDIJG-UHFFFAOYSA-N
MW258.13 g/mol
LogP3.09
Rot. Bonds3

About N-[(3-bromo-4-fluorophenyl)methyl]-2-methylcyclopropan-1-amine

N-[(3-bromo-4-fluorophenyl)methyl]-2-methylcyclopropan-1-amine (PubChem CID 62397492) has the molecular formula C11H13BrFN and a molecular weight of 258.13 g/mol. Its IUPAC name is N-[(3-bromo-4-fluorophenyl)methyl]-2-methylcyclopropan-1-amine.

Molecular Properties

Compound NameN-[(3-bromo-4-fluorophenyl)methyl]-2-methylcyclopropan-1-amine
PubChem CID62397492
Molecular FormulaC11H13BrFN
Molecular Weight258.13 g/mol
Exact Mass257.02
IUPAC NameN-[(3-bromo-4-fluorophenyl)methyl]-2-methylcyclopropan-1-amine
SMILESCC1CC1NCc1ccc(F)c(Br)c1
InChIInChI=1S/C11H13BrFN/c1-7-4-11(7)14-6-8-2-3-10(13)9(12)5-8/h2-3,5,7,11,14H,4,6H2,1H3
InChIKeyDMLJREYZKYDIJG-UHFFFAOYSA-N
XLogP3.09
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.13
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(3,4-difluorophenyl)methyl]-2-methylcyclopropan-1-amine
CID 62396100
N-[(3-bromo-4-fluorophenyl)methyl]-3-methylcyclobutan-1-amine
CID 115671512
N-[(3-bromo-4-methoxyphenyl)methyl]-2-methylcyclopropan-1-amine
CID 62397707
N-[(3-bromo-4-fluorophenyl)methyl]-4-methylcyclohexan-1-amine
CID 28551294
2-methyl-N-[(3,4,5-trifluorophenyl)methyl]cyclopropan-1-amine
CID 63050226
2-methyl-4-[[(2-methylcyclopropyl)amino]methyl]aniline
CID 62408815
N-[(3-bromo-4-fluorophenyl)methyl]hydroxylamine
CID 82686499
N-[(3-bromo-4-fluorophenyl)methyl]-3-methylsulfanylcyclohexan-1-amine
CID 113237893
N-[(3-bromo-4-fluorophenyl)methyl]-2,2-dimethylcyclopentan-1-amine
CID 79861703
N-[(4-bromo-3-fluorophenyl)methyl]-3-ethyl-2-methylcyclopentan-1-amine
CID 81437054
N-[1-(3-bromo-4-fluorophenyl)ethyl]-2-methylcyclopropan-1-amine
CID 62396524
2-chloro-4-[[[(1R,2R)-2-methylcyclopropyl]amino]methyl]phenol
CID 94428869

Frequently Asked Questions

What is the IUPAC name of N-[(3-bromo-4-fluorophenyl)methyl]-2-methylcyclopropan-1-amine?
The IUPAC name of N-[(3-bromo-4-fluorophenyl)methyl]-2-methylcyclopropan-1-amine (CID 62397492) is N-[(3-bromo-4-fluorophenyl)methyl]-2-methylcyclopropan-1-amine.
What is the SMILES notation for N-[(3-bromo-4-fluorophenyl)methyl]-2-methylcyclopropan-1-amine?
The canonical SMILES for N-[(3-bromo-4-fluorophenyl)methyl]-2-methylcyclopropan-1-amine is CC1CC1NCc1ccc(F)c(Br)c1.
What is the InChIKey of N-[(3-bromo-4-fluorophenyl)methyl]-2-methylcyclopropan-1-amine?
The InChIKey is DMLJREYZKYDIJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrFN/c1-7-4-11(7)14-6-8-2-3-10(13)9(12)5-8/h2-3,5,7,11,14H,4,6H2,1H3.
What are the key properties of N-[(3-bromo-4-fluorophenyl)methyl]-2-methylcyclopropan-1-amine?
N-[(3-bromo-4-fluorophenyl)methyl]-2-methylcyclopropan-1-amine has a molecular weight of 258.13 g/mol, XLogP of 3.09, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-bromo-4-fluorophenyl)methyl]-2-methylcyclopropan-1-amine is sourced from PubChem (CID 62397492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).