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

C12H15BrFN — CID 61221751

IUPACN-[(5-bromo-2-fluorophenyl)methyl]-2,2-dimethylcyclopropan-1-amine
SMILESCC1(C)CC1NCc1cc(Br)ccc1F
InChIInChI=1S/C12H15BrFN/c1-12(2)6-11(12)15-7-8-5-9(13)3-4-10(8)14/h3-5,11,15H,6-7H2,1-2H3
InChIKeyCDFGYQZQAMDJNG-UHFFFAOYSA-N
MW272.16 g/mol
LogP3.48
Rot. Bonds3

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

N-[(5-bromo-2-fluorophenyl)methyl]-2,2-dimethylcyclopropan-1-amine (PubChem CID 61221751) has the molecular formula C12H15BrFN and a molecular weight of 272.16 g/mol. Its IUPAC name is N-[(5-bromo-2-fluorophenyl)methyl]-2,2-dimethylcyclopropan-1-amine.

Molecular Properties

Compound NameN-[(5-bromo-2-fluorophenyl)methyl]-2,2-dimethylcyclopropan-1-amine
PubChem CID61221751
Molecular FormulaC12H15BrFN
Molecular Weight272.16 g/mol
Exact Mass271.04
IUPAC NameN-[(5-bromo-2-fluorophenyl)methyl]-2,2-dimethylcyclopropan-1-amine
SMILESCC1(C)CC1NCc1cc(Br)ccc1F
InChIInChI=1S/C12H15BrFN/c1-12(2)6-11(12)15-7-8-5-9(13)3-4-10(8)14/h3-5,11,15H,6-7H2,1-2H3
InChIKeyCDFGYQZQAMDJNG-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

Analyze N-[(5-bromo-2-fluorophenyl)methyl]-2,2-dimethylcyclopropan-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-2-fluorophenyl)methyl]-2,2-dimethylcyclopropan-1-amine
CID 61222285
(1R,4S)-N-[(5-bromo-2-fluorophenyl)methyl]-1,3,3-trimethylbicyclo[2.2.1]heptan-2-amine
CID 115400708
N-[(5-bromo-2-fluorophenyl)methyl]-3-ethoxyspiro[3.3]heptan-1-amine
CID 65294569
N-[(5-bromo-2-fluorophenyl)methyl]-4-propan-2-ylcycloheptan-1-amine
CID 65091603
N-[(5-bromo-2-fluorophenyl)methyl]-3-(4-bromophenyl)cyclobutan-1-amine
CID 63455619
N-[(5-bromo-2-fluorophenyl)methyl]-4-methylcycloheptan-1-amine
CID 65079881
N-[(5-bromo-2-fluorophenyl)methyl]-1-oxothian-4-amine
CID 54981395
N-[(5-bromo-2-fluorophenyl)methyl]-1-cyclopropylpropan-2-amine
CID 63987847
N-[(5-bromo-2-fluorophenyl)methyl]-5-methylthiolan-3-amine
CID 79949958
N-[(5-bromo-2-chlorophenyl)methyl]-2,2-dimethylcyclohexan-1-amine
CID 114076581
4-bromo-3-[[(2,2-dimethylcyclopropyl)amino]methyl]aniline
CID 115297673
N-[(5-bromo-2-fluorophenyl)methyl]-1-methylazepan-4-amine
CID 65070645

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromo-2-fluorophenyl)methyl]-2,2-dimethylcyclopropan-1-amine?
The IUPAC name of N-[(5-bromo-2-fluorophenyl)methyl]-2,2-dimethylcyclopropan-1-amine (CID 61221751) is N-[(5-bromo-2-fluorophenyl)methyl]-2,2-dimethylcyclopropan-1-amine.
What is the SMILES notation for N-[(5-bromo-2-fluorophenyl)methyl]-2,2-dimethylcyclopropan-1-amine?
The canonical SMILES for N-[(5-bromo-2-fluorophenyl)methyl]-2,2-dimethylcyclopropan-1-amine is CC1(C)CC1NCc1cc(Br)ccc1F.
What is the InChIKey of N-[(5-bromo-2-fluorophenyl)methyl]-2,2-dimethylcyclopropan-1-amine?
The InChIKey is CDFGYQZQAMDJNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrFN/c1-12(2)6-11(12)15-7-8-5-9(13)3-4-10(8)14/h3-5,11,15H,6-7H2,1-2H3.
What are the key properties of N-[(5-bromo-2-fluorophenyl)methyl]-2,2-dimethylcyclopropan-1-amine?
N-[(5-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-[(5-bromo-2-fluorophenyl)methyl]-2,2-dimethylcyclopropan-1-amine is sourced from PubChem (CID 61221751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).