3-[(3-bromo-5-fluorophenyl)methyl]-2-cyclopropyloxolan-3-amine

C14H17BrFNO — CID 113420895

IUPAC3-[(3-bromo-5-fluorophenyl)methyl]-2-cyclopropyloxolan-3-amine
SMILESNC1(Cc2cc(F)cc(Br)c2)CCOC1C1CC1
InChIInChI=1S/C14H17BrFNO/c15-11-5-9(6-12(16)7-11)8-14(17)3-4-18-13(14)10-1-2-10/h5-7,10,13H,1-4,8,17H2
InChIKeyKPHZEQVJSIFGJB-UHFFFAOYSA-N
MW314.20 g/mol
LogP3.03
Rot. Bonds3

About 3-[(3-bromo-5-fluorophenyl)methyl]-2-cyclopropyloxolan-3-amine

3-[(3-bromo-5-fluorophenyl)methyl]-2-cyclopropyloxolan-3-amine (PubChem CID 113420895) has the molecular formula C14H17BrFNO and a molecular weight of 314.20 g/mol. Its IUPAC name is 3-[(3-bromo-5-fluorophenyl)methyl]-2-cyclopropyloxolan-3-amine.

Molecular Properties

Compound Name3-[(3-bromo-5-fluorophenyl)methyl]-2-cyclopropyloxolan-3-amine
PubChem CID113420895
Molecular FormulaC14H17BrFNO
Molecular Weight314.20 g/mol
Exact Mass313.05
IUPAC Name3-[(3-bromo-5-fluorophenyl)methyl]-2-cyclopropyloxolan-3-amine
SMILESNC1(Cc2cc(F)cc(Br)c2)CCOC1C1CC1
InChIInChI=1S/C14H17BrFNO/c15-11-5-9(6-12(16)7-11)8-14(17)3-4-18-13(14)10-1-2-10/h5-7,10,13H,1-4,8,17H2
InChIKeyKPHZEQVJSIFGJB-UHFFFAOYSA-N
XLogP3.03
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.20
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-[(3-bromo-5-fluorophenyl)methyl]-2-cyclopropyloxolan-3-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

1-[(3-bromo-5-fluorophenyl)methyl]cyclopropan-1-amine
CID 79711556
3-[(3-bromo-2,6-difluorophenyl)methyl]-2-cyclopropyloxolan-3-amine
CID 106273565
2-cyclopropyl-3-[(5-fluoro-2-methylphenyl)methyl]oxolan-3-amine
CID 105375834
1-[(3-bromo-5-fluorophenyl)methyl]cycloheptan-1-amine
CID 79701350
1-[(3-bromo-5-fluorophenyl)methyl]cyclohexan-1-amine
CID 79701490
8-[(3-bromo-5-fluorophenyl)methyl]tricyclo[5.2.1.02,6]decan-8-amine
CID 79699258
3-[(3-bromo-5-fluorophenyl)methyl]oxetan-3-ol
CID 164649441
1-[(3-bromo-5-fluorophenyl)methyl]-3-methylcyclohexan-1-amine
CID 79702899
1-[(3-bromo-5-fluorophenyl)methyl]-4,4-dimethylcyclohexan-1-ol
CID 79701214
2-cyclopropyl-3-(2-fluoroethyl)oxolan-3-amine
CID 164649094
1-[(3-bromo-5-fluorophenyl)methyl]-4-propan-2-ylcyclohexan-1-ol
CID 79701739
2-cyclopropyl-3-(2,2-difluoroethyl)oxolan-3-amine
CID 164655201

Frequently Asked Questions

What is the IUPAC name of 3-[(3-bromo-5-fluorophenyl)methyl]-2-cyclopropyloxolan-3-amine?
The IUPAC name of 3-[(3-bromo-5-fluorophenyl)methyl]-2-cyclopropyloxolan-3-amine (CID 113420895) is 3-[(3-bromo-5-fluorophenyl)methyl]-2-cyclopropyloxolan-3-amine.
What is the SMILES notation for 3-[(3-bromo-5-fluorophenyl)methyl]-2-cyclopropyloxolan-3-amine?
The canonical SMILES for 3-[(3-bromo-5-fluorophenyl)methyl]-2-cyclopropyloxolan-3-amine is NC1(Cc2cc(F)cc(Br)c2)CCOC1C1CC1.
What is the InChIKey of 3-[(3-bromo-5-fluorophenyl)methyl]-2-cyclopropyloxolan-3-amine?
The InChIKey is KPHZEQVJSIFGJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrFNO/c15-11-5-9(6-12(16)7-11)8-14(17)3-4-18-13(14)10-1-2-10/h5-7,10,13H,1-4,8,17H2.
What are the key properties of 3-[(3-bromo-5-fluorophenyl)methyl]-2-cyclopropyloxolan-3-amine?
3-[(3-bromo-5-fluorophenyl)methyl]-2-cyclopropyloxolan-3-amine has a molecular weight of 314.20 g/mol, XLogP of 3.03, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-bromo-5-fluorophenyl)methyl]-2-cyclopropyloxolan-3-amine is sourced from PubChem (CID 113420895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).