N-[(2,2-difluoro-6-bicyclo[3.1.0]hexanyl)methyl]-1-(5-methylfuran-2-yl)ethanamine

C14H19F2NO — CID 166287571

IUPACN-[(2,2-difluoro-6-bicyclo[3.1.0]hexanyl)methyl]-1-(5-methylfuran-2-yl)ethanamine
SMILESCc1ccc(C(C)NCC2C3CCC(F)(F)C32)o1
InChIInChI=1S/C14H19F2NO/c1-8-3-4-12(18-8)9(2)17-7-11-10-5-6-14(15,16)13(10)11/h3-4,9-11,13,17H,5-7H2,1-2H3
InChIKeyLRNNULLDRARFLL-UHFFFAOYSA-N
MW255.31 g/mol
LogP3.53
Rot. Bonds4

About N-[(2,2-difluoro-6-bicyclo[3.1.0]hexanyl)methyl]-1-(5-methylfuran-2-yl)ethanamine

N-[(2,2-difluoro-6-bicyclo[3.1.0]hexanyl)methyl]-1-(5-methylfuran-2-yl)ethanamine (PubChem CID 166287571) has the molecular formula C14H19F2NO and a molecular weight of 255.31 g/mol. Its IUPAC name is N-[(2,2-difluoro-6-bicyclo[3.1.0]hexanyl)methyl]-1-(5-methylfuran-2-yl)ethanamine.

Molecular Properties

Compound NameN-[(2,2-difluoro-6-bicyclo[3.1.0]hexanyl)methyl]-1-(5-methylfuran-2-yl)ethanamine
PubChem CID166287571
Molecular FormulaC14H19F2NO
Molecular Weight255.31 g/mol
Exact Mass255.14
IUPAC NameN-[(2,2-difluoro-6-bicyclo[3.1.0]hexanyl)methyl]-1-(5-methylfuran-2-yl)ethanamine
SMILESCc1ccc(C(C)NCC2C3CCC(F)(F)C32)o1
InChIInChI=1S/C14H19F2NO/c1-8-3-4-12(18-8)9(2)17-7-11-10-5-6-14(15,16)13(10)11/h3-4,9-11,13,17H,5-7H2,1-2H3
InChIKeyLRNNULLDRARFLL-UHFFFAOYSA-N
XLogP3.53
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.31
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[(2,2-difluoro-6-bicyclo[3.1.0]hexanyl)methyl]-1-(5-methylfuran-2-yl)ethanamine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(2,2-difluoro-6-bicyclo[3.1.0]hexanyl)methyl]-1-(5-methylfuran-2-yl)ethanamine?
The IUPAC name of N-[(2,2-difluoro-6-bicyclo[3.1.0]hexanyl)methyl]-1-(5-methylfuran-2-yl)ethanamine (CID 166287571) is N-[(2,2-difluoro-6-bicyclo[3.1.0]hexanyl)methyl]-1-(5-methylfuran-2-yl)ethanamine.
What is the SMILES notation for N-[(2,2-difluoro-6-bicyclo[3.1.0]hexanyl)methyl]-1-(5-methylfuran-2-yl)ethanamine?
The canonical SMILES for N-[(2,2-difluoro-6-bicyclo[3.1.0]hexanyl)methyl]-1-(5-methylfuran-2-yl)ethanamine is Cc1ccc(C(C)NCC2C3CCC(F)(F)C32)o1.
What is the InChIKey of N-[(2,2-difluoro-6-bicyclo[3.1.0]hexanyl)methyl]-1-(5-methylfuran-2-yl)ethanamine?
The InChIKey is LRNNULLDRARFLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F2NO/c1-8-3-4-12(18-8)9(2)17-7-11-10-5-6-14(15,16)13(10)11/h3-4,9-11,13,17H,5-7H2,1-2H3.
What are the key properties of N-[(2,2-difluoro-6-bicyclo[3.1.0]hexanyl)methyl]-1-(5-methylfuran-2-yl)ethanamine?
N-[(2,2-difluoro-6-bicyclo[3.1.0]hexanyl)methyl]-1-(5-methylfuran-2-yl)ethanamine has a molecular weight of 255.31 g/mol, XLogP of 3.53, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,2-difluoro-6-bicyclo[3.1.0]hexanyl)methyl]-1-(5-methylfuran-2-yl)ethanamine is sourced from PubChem (CID 166287571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).