N-[2-(3,5-difluorophenyl)ethyl]-8-methyl-8-azabicyclo[3.2.1]octan-3-amine

C16H22F2N2 — CID 62604967

IUPACN-[2-(3,5-difluorophenyl)ethyl]-8-methyl-8-azabicyclo[3.2.1]octan-3-amine
SMILESCN1C2CCC1CC(NCCc1cc(F)cc(F)c1)C2
InChIInChI=1S/C16H22F2N2/c1-20-15-2-3-16(20)10-14(9-15)19-5-4-11-6-12(17)8-13(18)7-11/h6-8,14-16,19H,2-5,9-10H2,1H3
InChIKeyULGYEELGDVQEPD-UHFFFAOYSA-N
MW280.36 g/mol
LogP2.72
Rot. Bonds4

About N-[2-(3,5-difluorophenyl)ethyl]-8-methyl-8-azabicyclo[3.2.1]octan-3-amine

N-[2-(3,5-difluorophenyl)ethyl]-8-methyl-8-azabicyclo[3.2.1]octan-3-amine (PubChem CID 62604967) has the molecular formula C16H22F2N2 and a molecular weight of 280.36 g/mol. Its IUPAC name is N-[2-(3,5-difluorophenyl)ethyl]-8-methyl-8-azabicyclo[3.2.1]octan-3-amine.

Molecular Properties

Compound NameN-[2-(3,5-difluorophenyl)ethyl]-8-methyl-8-azabicyclo[3.2.1]octan-3-amine
PubChem CID62604967
Molecular FormulaC16H22F2N2
Molecular Weight280.36 g/mol
Exact Mass280.18
IUPAC NameN-[2-(3,5-difluorophenyl)ethyl]-8-methyl-8-azabicyclo[3.2.1]octan-3-amine
SMILESCN1C2CCC1CC(NCCc1cc(F)cc(F)c1)C2
InChIInChI=1S/C16H22F2N2/c1-20-15-2-3-16(20)10-14(9-15)19-5-4-11-6-12(17)8-13(18)7-11/h6-8,14-16,19H,2-5,9-10H2,1H3
InChIKeyULGYEELGDVQEPD-UHFFFAOYSA-N
XLogP2.72
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.36
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

8-methyl-N-(2-phenylethyl)-8-azabicyclo[3.2.1]octan-3-amine
CID 2837528
N-[2-(3,5-difluorophenyl)ethyl]cycloheptanamine
CID 55091377
N-(3,5-difluorophenyl)-8-methyl-8-azabicyclo[3.2.1]octan-3-amine
CID 43131668
3-cyclopropyl-N-[2-(3,5-difluorophenyl)ethyl]cyclohexan-1-amine
CID 64623377
N-[(3-chloro-5-fluorophenyl)methyl]-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine
CID 114452947
N-[2-(3,4-dimethoxyphenyl)ethyl]-9-methyl-9-azabicyclo[4.2.1]nonan-3-amine
CID 166264057
N-[2-(4-methoxyphenyl)ethyl]-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine
CID 65472958
N-[2-(cyclohexen-1-yl)ethyl]-8-methyl-8-azabicyclo[3.2.1]octan-3-amine
CID 43131687
N-[2-(1H-indol-2-yl)ethyl]-8-methyl-8-azabicyclo[3.2.1]octan-3-amine
CID 70048466
(1R,5S)-N-benzyl-8-methyl-8-azabicyclo[3.2.1]octan-3-amine
CID 750316
1-[bis(4-chlorophenyl)methyl]-N-[2-(3,5-difluorophenyl)ethyl]azetidin-3-amine
CID 141041542
N-[2-(3,5-difluorophenyl)ethyl]-2,3-dimethylcyclohexan-1-amine
CID 64762317

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,5-difluorophenyl)ethyl]-8-methyl-8-azabicyclo[3.2.1]octan-3-amine?
The IUPAC name of N-[2-(3,5-difluorophenyl)ethyl]-8-methyl-8-azabicyclo[3.2.1]octan-3-amine (CID 62604967) is N-[2-(3,5-difluorophenyl)ethyl]-8-methyl-8-azabicyclo[3.2.1]octan-3-amine.
What is the SMILES notation for N-[2-(3,5-difluorophenyl)ethyl]-8-methyl-8-azabicyclo[3.2.1]octan-3-amine?
The canonical SMILES for N-[2-(3,5-difluorophenyl)ethyl]-8-methyl-8-azabicyclo[3.2.1]octan-3-amine is CN1C2CCC1CC(NCCc1cc(F)cc(F)c1)C2.
What is the InChIKey of N-[2-(3,5-difluorophenyl)ethyl]-8-methyl-8-azabicyclo[3.2.1]octan-3-amine?
The InChIKey is ULGYEELGDVQEPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22F2N2/c1-20-15-2-3-16(20)10-14(9-15)19-5-4-11-6-12(17)8-13(18)7-11/h6-8,14-16,19H,2-5,9-10H2,1H3.
What are the key properties of N-[2-(3,5-difluorophenyl)ethyl]-8-methyl-8-azabicyclo[3.2.1]octan-3-amine?
N-[2-(3,5-difluorophenyl)ethyl]-8-methyl-8-azabicyclo[3.2.1]octan-3-amine has a molecular weight of 280.36 g/mol, XLogP of 2.72, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,5-difluorophenyl)ethyl]-8-methyl-8-azabicyclo[3.2.1]octan-3-amine is sourced from PubChem (CID 62604967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).