N-[(3,5-difluorophenyl)methyl]-N-propyl-8-azabicyclo[3.2.1]octan-3-amine

C17H24F2N2 — CID 105404880

IUPACN-[(3,5-difluorophenyl)methyl]-N-propyl-8-azabicyclo[3.2.1]octan-3-amine
SMILESCCCN(Cc1cc(F)cc(F)c1)C1CC2CCC(C1)N2
InChIInChI=1S/C17H24F2N2/c1-2-5-21(11-12-6-13(18)8-14(19)7-12)17-9-15-3-4-16(10-17)20-15/h6-8,15-17,20H,2-5,9-11H2,1H3
InChIKeySKKBQQUBYRYEDN-UHFFFAOYSA-N
MW294.39 g/mol
LogP3.46
Rot. Bonds5

About N-[(3,5-difluorophenyl)methyl]-N-propyl-8-azabicyclo[3.2.1]octan-3-amine

N-[(3,5-difluorophenyl)methyl]-N-propyl-8-azabicyclo[3.2.1]octan-3-amine (PubChem CID 105404880) has the molecular formula C17H24F2N2 and a molecular weight of 294.39 g/mol. Its IUPAC name is N-[(3,5-difluorophenyl)methyl]-N-propyl-8-azabicyclo[3.2.1]octan-3-amine.

Molecular Properties

Compound NameN-[(3,5-difluorophenyl)methyl]-N-propyl-8-azabicyclo[3.2.1]octan-3-amine
PubChem CID105404880
Molecular FormulaC17H24F2N2
Molecular Weight294.39 g/mol
Exact Mass294.19
IUPAC NameN-[(3,5-difluorophenyl)methyl]-N-propyl-8-azabicyclo[3.2.1]octan-3-amine
SMILESCCCN(Cc1cc(F)cc(F)c1)C1CC2CCC(C1)N2
InChIInChI=1S/C17H24F2N2/c1-2-5-21(11-12-6-13(18)8-14(19)7-12)17-9-15-3-4-16(10-17)20-15/h6-8,15-17,20H,2-5,9-11H2,1H3
InChIKeySKKBQQUBYRYEDN-UHFFFAOYSA-N
XLogP3.46
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.39
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(3,5-difluorophenyl)methyl]-N-propyl-8-azabicyclo[3.2.1]octan-3-amine?
The IUPAC name of N-[(3,5-difluorophenyl)methyl]-N-propyl-8-azabicyclo[3.2.1]octan-3-amine (CID 105404880) is N-[(3,5-difluorophenyl)methyl]-N-propyl-8-azabicyclo[3.2.1]octan-3-amine.
What is the SMILES notation for N-[(3,5-difluorophenyl)methyl]-N-propyl-8-azabicyclo[3.2.1]octan-3-amine?
The canonical SMILES for N-[(3,5-difluorophenyl)methyl]-N-propyl-8-azabicyclo[3.2.1]octan-3-amine is CCCN(Cc1cc(F)cc(F)c1)C1CC2CCC(C1)N2.
What is the InChIKey of N-[(3,5-difluorophenyl)methyl]-N-propyl-8-azabicyclo[3.2.1]octan-3-amine?
The InChIKey is SKKBQQUBYRYEDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24F2N2/c1-2-5-21(11-12-6-13(18)8-14(19)7-12)17-9-15-3-4-16(10-17)20-15/h6-8,15-17,20H,2-5,9-11H2,1H3.
What are the key properties of N-[(3,5-difluorophenyl)methyl]-N-propyl-8-azabicyclo[3.2.1]octan-3-amine?
N-[(3,5-difluorophenyl)methyl]-N-propyl-8-azabicyclo[3.2.1]octan-3-amine has a molecular weight of 294.39 g/mol, XLogP of 3.46, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-difluorophenyl)methyl]-N-propyl-8-azabicyclo[3.2.1]octan-3-amine is sourced from PubChem (CID 105404880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).