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

C11H13BrFN — CID 115702499

IUPACN-[(4-bromo-3-fluorophenyl)methyl]-1-methylcyclopropan-1-amine
SMILESCC1(NCc2ccc(Br)c(F)c2)CC1
InChIInChI=1S/C11H13BrFN/c1-11(4-5-11)14-7-8-2-3-9(12)10(13)6-8/h2-3,6,14H,4-5,7H2,1H3
InChIKeyFGGRJSLJMVGHLN-UHFFFAOYSA-N
MW258.13 g/mol
LogP3.23
Rot. Bonds3

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

N-[(4-bromo-3-fluorophenyl)methyl]-1-methylcyclopropan-1-amine (PubChem CID 115702499) has the molecular formula C11H13BrFN and a molecular weight of 258.13 g/mol. Its IUPAC name is N-[(4-bromo-3-fluorophenyl)methyl]-1-methylcyclopropan-1-amine.

Molecular Properties

Compound NameN-[(4-bromo-3-fluorophenyl)methyl]-1-methylcyclopropan-1-amine
PubChem CID115702499
Molecular FormulaC11H13BrFN
Molecular Weight258.13 g/mol
Exact Mass257.02
IUPAC NameN-[(4-bromo-3-fluorophenyl)methyl]-1-methylcyclopropan-1-amine
SMILESCC1(NCc2ccc(Br)c(F)c2)CC1
InChIInChI=1S/C11H13BrFN/c1-11(4-5-11)14-7-8-2-3-9(12)10(13)6-8/h2-3,6,14H,4-5,7H2,1H3
InChIKeyFGGRJSLJMVGHLN-UHFFFAOYSA-N
XLogP3.23
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 ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze N-[(4-bromo-3-fluorophenyl)methyl]-1-methylcyclopropan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(4-bromo-3-fluorophenyl)methyl]-3-methyl-1,1-dioxothiolan-3-amine
CID 81436602
N-[(3-bromo-4-fluorophenyl)methyl]-1-methylcyclobutan-1-amine
CID 115765892
N-[(4-bromo-3-methylphenyl)methyl]-1-methylcyclohexan-1-amine
CID 66473220
N-[(4-bromo-3-fluorophenyl)methyl]-2,2-dimethylcyclohexan-1-amine
CID 81436842
1-methyl-N-[(3,4,5-trifluorophenyl)methyl]cyclobutan-1-amine
CID 115765781
1-[[(4-bromo-3-fluorophenyl)methylamino]methyl]-N,N-dimethylcyclopentan-1-amine
CID 81002628
N-[(4-bromo-3-fluorophenyl)methyl]-3,5-dimethylaniline
CID 81436699
N-[(4-bromo-3-fluorophenyl)methyl]-2,3-dimethylbutan-1-amine
CID 81436285
N-[(4-bromo-3-fluorophenyl)methyl]-4-methylpentan-2-amine
CID 81436383
N-[[3-bromo-4-(trifluoromethoxy)phenyl]methyl]-1-methylcyclopentan-1-amine
CID 107342298
(2R)-N-[(4-bromo-3-fluorophenyl)methyl]-3-methylbutan-2-amine
CID 97357883
N-[(3,4-difluorophenyl)methyl]-3-methyloxan-3-amine
CID 113348018

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromo-3-fluorophenyl)methyl]-1-methylcyclopropan-1-amine?
The IUPAC name of N-[(4-bromo-3-fluorophenyl)methyl]-1-methylcyclopropan-1-amine (CID 115702499) is N-[(4-bromo-3-fluorophenyl)methyl]-1-methylcyclopropan-1-amine.
What is the SMILES notation for N-[(4-bromo-3-fluorophenyl)methyl]-1-methylcyclopropan-1-amine?
The canonical SMILES for N-[(4-bromo-3-fluorophenyl)methyl]-1-methylcyclopropan-1-amine is CC1(NCc2ccc(Br)c(F)c2)CC1.
What is the InChIKey of N-[(4-bromo-3-fluorophenyl)methyl]-1-methylcyclopropan-1-amine?
The InChIKey is FGGRJSLJMVGHLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrFN/c1-11(4-5-11)14-7-8-2-3-9(12)10(13)6-8/h2-3,6,14H,4-5,7H2,1H3.
What are the key properties of N-[(4-bromo-3-fluorophenyl)methyl]-1-methylcyclopropan-1-amine?
N-[(4-bromo-3-fluorophenyl)methyl]-1-methylcyclopropan-1-amine has a molecular weight of 258.13 g/mol, XLogP of 3.23, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromo-3-fluorophenyl)methyl]-1-methylcyclopropan-1-amine is sourced from PubChem (CID 115702499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).