2-[(4-chloro-2-fluorophenyl)methyl]-7-oxabicyclo[2.2.1]heptan-2-amine

C13H15ClFNO — CID 114861670

IUPAC2-[(4-chloro-2-fluorophenyl)methyl]-7-oxabicyclo[2.2.1]heptan-2-amine
SMILESNC1(Cc2ccc(Cl)cc2F)CC2CCC1O2
InChIInChI=1S/C13H15ClFNO/c14-9-2-1-8(11(15)5-9)6-13(16)7-10-3-4-12(13)17-10/h1-2,5,10,12H,3-4,6-7,16H2
InChIKeyAHICZUCLUVHJDU-UHFFFAOYSA-N
MW255.72 g/mol
LogP2.67
Rot. Bonds2

About 2-[(4-chloro-2-fluorophenyl)methyl]-7-oxabicyclo[2.2.1]heptan-2-amine

2-[(4-chloro-2-fluorophenyl)methyl]-7-oxabicyclo[2.2.1]heptan-2-amine (PubChem CID 114861670) has the molecular formula C13H15ClFNO and a molecular weight of 255.72 g/mol. Its IUPAC name is 2-[(4-chloro-2-fluorophenyl)methyl]-7-oxabicyclo[2.2.1]heptan-2-amine.

Molecular Properties

Compound Name2-[(4-chloro-2-fluorophenyl)methyl]-7-oxabicyclo[2.2.1]heptan-2-amine
PubChem CID114861670
Molecular FormulaC13H15ClFNO
Molecular Weight255.72 g/mol
Exact Mass255.08
IUPAC Name2-[(4-chloro-2-fluorophenyl)methyl]-7-oxabicyclo[2.2.1]heptan-2-amine
SMILESNC1(Cc2ccc(Cl)cc2F)CC2CCC1O2
InChIInChI=1S/C13H15ClFNO/c14-9-2-1-8(11(15)5-9)6-13(16)7-10-3-4-12(13)17-10/h1-2,5,10,12H,3-4,6-7,16H2
InChIKeyAHICZUCLUVHJDU-UHFFFAOYSA-N
XLogP2.67
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.72
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-[(4-chloro-2-fluorophenyl)methyl]-7-oxabicyclo[2.2.1]heptan-2-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

2-[(3-bromo-2,6-difluorophenyl)methyl]-7-oxabicyclo[2.2.1]heptan-2-amine
CID 106273632
2-[(2,5-dimethylphenyl)methyl]-7-oxabicyclo[2.2.1]heptan-2-amine
CID 65421171
1-[(4-chloro-2-fluorophenyl)methyl]-4-methylcyclohexan-1-amine
CID 114853407
1-[(4-chloro-2-fluorophenyl)methyl]-4-propylcyclohexan-1-amine
CID 114853406
1-[(4-chloro-2-fluorophenyl)methyl]cycloheptan-1-amine
CID 114853412
1-[(2,4-dichlorophenyl)methyl]-2-methylcyclopropan-1-amine
CID 79333265
3-[(4-chloro-2-fluorophenyl)methyl]-3-methylcyclopentan-1-ol
CID 114860136
1-[(4-chloro-2-fluorophenyl)methyl]-3-propan-2-ylcyclohexan-1-amine
CID 107450124
4-[(4-chloro-2-fluorophenyl)methyl]oxepan-4-amine
CID 114853535
2-[(5-bromo-2-fluorophenyl)methyl]-7-oxabicyclo[2.2.1]heptane-2-carbonitrile
CID 65392542
[2-(aminomethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]-(3,4-difluorophenyl)methanol
CID 79137859
[2-[(3,4-dichlorophenyl)methyl]-7-oxabicyclo[2.2.1]heptan-2-yl]methanamine
CID 65394896

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chloro-2-fluorophenyl)methyl]-7-oxabicyclo[2.2.1]heptan-2-amine?
The IUPAC name of 2-[(4-chloro-2-fluorophenyl)methyl]-7-oxabicyclo[2.2.1]heptan-2-amine (CID 114861670) is 2-[(4-chloro-2-fluorophenyl)methyl]-7-oxabicyclo[2.2.1]heptan-2-amine.
What is the SMILES notation for 2-[(4-chloro-2-fluorophenyl)methyl]-7-oxabicyclo[2.2.1]heptan-2-amine?
The canonical SMILES for 2-[(4-chloro-2-fluorophenyl)methyl]-7-oxabicyclo[2.2.1]heptan-2-amine is NC1(Cc2ccc(Cl)cc2F)CC2CCC1O2.
What is the InChIKey of 2-[(4-chloro-2-fluorophenyl)methyl]-7-oxabicyclo[2.2.1]heptan-2-amine?
The InChIKey is AHICZUCLUVHJDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClFNO/c14-9-2-1-8(11(15)5-9)6-13(16)7-10-3-4-12(13)17-10/h1-2,5,10,12H,3-4,6-7,16H2.
What are the key properties of 2-[(4-chloro-2-fluorophenyl)methyl]-7-oxabicyclo[2.2.1]heptan-2-amine?
2-[(4-chloro-2-fluorophenyl)methyl]-7-oxabicyclo[2.2.1]heptan-2-amine has a molecular weight of 255.72 g/mol, XLogP of 2.67, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chloro-2-fluorophenyl)methyl]-7-oxabicyclo[2.2.1]heptan-2-amine is sourced from PubChem (CID 114861670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).