[2-[(2,3-difluorophenyl)methyl]-2-bicyclo[2.2.1]heptanyl]methanamine

C15H19F2N — CID 62740993

IUPAC[2-[(2,3-difluorophenyl)methyl]-2-bicyclo[2.2.1]heptanyl]methanamine
SMILESNCC1(Cc2cccc(F)c2F)CC2CCC1C2
InChIInChI=1S/C15H19F2N/c16-13-3-1-2-11(14(13)17)8-15(9-18)7-10-4-5-12(15)6-10/h1-3,10,12H,4-9,18H2
InChIKeyZNAUDDZPYFBPMS-UHFFFAOYSA-N
MW251.32 g/mol
LogP3.27
Rot. Bonds3

About [2-[(2,3-difluorophenyl)methyl]-2-bicyclo[2.2.1]heptanyl]methanamine

[2-[(2,3-difluorophenyl)methyl]-2-bicyclo[2.2.1]heptanyl]methanamine (PubChem CID 62740993) has the molecular formula C15H19F2N and a molecular weight of 251.32 g/mol. Its IUPAC name is [2-[(2,3-difluorophenyl)methyl]-2-bicyclo[2.2.1]heptanyl]methanamine.

Molecular Properties

Compound Name[2-[(2,3-difluorophenyl)methyl]-2-bicyclo[2.2.1]heptanyl]methanamine
PubChem CID62740993
Molecular FormulaC15H19F2N
Molecular Weight251.32 g/mol
Exact Mass251.15
IUPAC Name[2-[(2,3-difluorophenyl)methyl]-2-bicyclo[2.2.1]heptanyl]methanamine
SMILESNCC1(Cc2cccc(F)c2F)CC2CCC1C2
InChIInChI=1S/C15H19F2N/c16-13-3-1-2-11(14(13)17)8-15(9-18)7-10-4-5-12(15)6-10/h1-3,10,12H,4-9,18H2
InChIKeyZNAUDDZPYFBPMS-UHFFFAOYSA-N
XLogP3.27
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.32
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze [2-[(2,3-difluorophenyl)methyl]-2-bicyclo[2.2.1]heptanyl]methanamine 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-[[2-[(2-chloro-3-fluorophenyl)methyl]-2-bicyclo[2.2.1]heptanyl]methyl]cyclopropanamine
CID 115984206
[2-(aminomethyl)-2-bicyclo[2.2.1]heptanyl]methanamine
CID 54205638
2-(aminomethyl)-2-[(2,3-difluorophenyl)methyl]-5,5-dimethylcyclopentan-1-ol
CID 79865443
2-(bromomethyl)-2-[(2,5-difluorophenyl)methyl]bicyclo[2.2.1]heptane
CID 66049494
N-[[2-[(2,6-difluorophenyl)methyl]-2-bicyclo[2.2.1]heptanyl]methyl]propan-1-amine
CID 114933522
2-[(2,3-difluorophenyl)methyl]-1,3,3-trimethylbicyclo[2.2.1]heptan-2-ol
CID 115401287
2-(bromomethyl)-2-[(2-methylphenyl)methyl]bicyclo[2.2.1]heptane
CID 66050372
N-methyl-1-[2-(naphthalen-1-ylmethyl)-2-bicyclo[2.2.1]heptanyl]methanamine
CID 63520754
[1-[(2,3-difluorophenyl)methyl]cycloheptyl]methanamine
CID 65391305
3-[(2,3-difluorophenyl)methyl]-8-thiabicyclo[3.2.1]octan-3-ol
CID 171961736
(2,3-difluorophenyl)methanamine
CID 2736941
3-[(2,3-difluorophenyl)methyl]-8,8-dioxo-8λ6-thiabicyclo[3.2.1]octan-3-ol
CID 171961738

Frequently Asked Questions

What is the IUPAC name of [2-[(2,3-difluorophenyl)methyl]-2-bicyclo[2.2.1]heptanyl]methanamine?
The IUPAC name of [2-[(2,3-difluorophenyl)methyl]-2-bicyclo[2.2.1]heptanyl]methanamine (CID 62740993) is [2-[(2,3-difluorophenyl)methyl]-2-bicyclo[2.2.1]heptanyl]methanamine.
What is the SMILES notation for [2-[(2,3-difluorophenyl)methyl]-2-bicyclo[2.2.1]heptanyl]methanamine?
The canonical SMILES for [2-[(2,3-difluorophenyl)methyl]-2-bicyclo[2.2.1]heptanyl]methanamine is NCC1(Cc2cccc(F)c2F)CC2CCC1C2.
What is the InChIKey of [2-[(2,3-difluorophenyl)methyl]-2-bicyclo[2.2.1]heptanyl]methanamine?
The InChIKey is ZNAUDDZPYFBPMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F2N/c16-13-3-1-2-11(14(13)17)8-15(9-18)7-10-4-5-12(15)6-10/h1-3,10,12H,4-9,18H2.
What are the key properties of [2-[(2,3-difluorophenyl)methyl]-2-bicyclo[2.2.1]heptanyl]methanamine?
[2-[(2,3-difluorophenyl)methyl]-2-bicyclo[2.2.1]heptanyl]methanamine has a molecular weight of 251.32 g/mol, XLogP of 3.27, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(2,3-difluorophenyl)methyl]-2-bicyclo[2.2.1]heptanyl]methanamine is sourced from PubChem (CID 62740993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).