3-[(3,4-difluorophenyl)methyl]-N,3-dimethylcyclopentan-1-amine

C14H19F2N — CID 116539016

IUPAC3-[(3,4-difluorophenyl)methyl]-N,3-dimethylcyclopentan-1-amine
SMILESCNC1CCC(C)(Cc2ccc(F)c(F)c2)C1
InChIInChI=1S/C14H19F2N/c1-14(6-5-11(9-14)17-2)8-10-3-4-12(15)13(16)7-10/h3-4,7,11,17H,5-6,8-9H2,1-2H3
InChIKeyIDWGPRNNFQFHNU-UHFFFAOYSA-N
MW239.31 g/mol
LogP3.29
Rot. Bonds3

About 3-[(3,4-difluorophenyl)methyl]-N,3-dimethylcyclopentan-1-amine

3-[(3,4-difluorophenyl)methyl]-N,3-dimethylcyclopentan-1-amine (PubChem CID 116539016) has the molecular formula C14H19F2N and a molecular weight of 239.31 g/mol. Its IUPAC name is 3-[(3,4-difluorophenyl)methyl]-N,3-dimethylcyclopentan-1-amine.

Molecular Properties

Compound Name3-[(3,4-difluorophenyl)methyl]-N,3-dimethylcyclopentan-1-amine
PubChem CID116539016
Molecular FormulaC14H19F2N
Molecular Weight239.31 g/mol
Exact Mass239.15
IUPAC Name3-[(3,4-difluorophenyl)methyl]-N,3-dimethylcyclopentan-1-amine
SMILESCNC1CCC(C)(Cc2ccc(F)c(F)c2)C1
InChIInChI=1S/C14H19F2N/c1-14(6-5-11(9-14)17-2)8-10-3-4-12(15)13(16)7-10/h3-4,7,11,17H,5-6,8-9H2,1-2H3
InChIKeyIDWGPRNNFQFHNU-UHFFFAOYSA-N
XLogP3.29
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.31
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-[(3,4-difluorophenyl)methyl]-N,3-dimethylcyclopentan-1-amine?
The IUPAC name of 3-[(3,4-difluorophenyl)methyl]-N,3-dimethylcyclopentan-1-amine (CID 116539016) is 3-[(3,4-difluorophenyl)methyl]-N,3-dimethylcyclopentan-1-amine.
What is the SMILES notation for 3-[(3,4-difluorophenyl)methyl]-N,3-dimethylcyclopentan-1-amine?
The canonical SMILES for 3-[(3,4-difluorophenyl)methyl]-N,3-dimethylcyclopentan-1-amine is CNC1CCC(C)(Cc2ccc(F)c(F)c2)C1.
What is the InChIKey of 3-[(3,4-difluorophenyl)methyl]-N,3-dimethylcyclopentan-1-amine?
The InChIKey is IDWGPRNNFQFHNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F2N/c1-14(6-5-11(9-14)17-2)8-10-3-4-12(15)13(16)7-10/h3-4,7,11,17H,5-6,8-9H2,1-2H3.
What are the key properties of 3-[(3,4-difluorophenyl)methyl]-N,3-dimethylcyclopentan-1-amine?
3-[(3,4-difluorophenyl)methyl]-N,3-dimethylcyclopentan-1-amine has a molecular weight of 239.31 g/mol, XLogP of 3.29, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3,4-difluorophenyl)methyl]-N,3-dimethylcyclopentan-1-amine is sourced from PubChem (CID 116539016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).