N-[(5-fluoro-2-methylphenyl)methyl]-N-propyl-8-azabicyclo[3.2.1]octan-3-amine

C18H27FN2 — CID 105372550

IUPACN-[(5-fluoro-2-methylphenyl)methyl]-N-propyl-8-azabicyclo[3.2.1]octan-3-amine
SMILESCCCN(Cc1cc(F)ccc1C)C1CC2CCC(C1)N2
InChIInChI=1S/C18H27FN2/c1-3-8-21(12-14-9-15(19)5-4-13(14)2)18-10-16-6-7-17(11-18)20-16/h4-5,9,16-18,20H,3,6-8,10-12H2,1-2H3
InChIKeyMVVFANRJKPQJIL-UHFFFAOYSA-N
MW290.43 g/mol
LogP3.63
Rot. Bonds5

About N-[(5-fluoro-2-methylphenyl)methyl]-N-propyl-8-azabicyclo[3.2.1]octan-3-amine

N-[(5-fluoro-2-methylphenyl)methyl]-N-propyl-8-azabicyclo[3.2.1]octan-3-amine (PubChem CID 105372550) has the molecular formula C18H27FN2 and a molecular weight of 290.43 g/mol. Its IUPAC name is N-[(5-fluoro-2-methylphenyl)methyl]-N-propyl-8-azabicyclo[3.2.1]octan-3-amine.

Molecular Properties

Compound NameN-[(5-fluoro-2-methylphenyl)methyl]-N-propyl-8-azabicyclo[3.2.1]octan-3-amine
PubChem CID105372550
Molecular FormulaC18H27FN2
Molecular Weight290.43 g/mol
Exact Mass290.22
IUPAC NameN-[(5-fluoro-2-methylphenyl)methyl]-N-propyl-8-azabicyclo[3.2.1]octan-3-amine
SMILESCCCN(Cc1cc(F)ccc1C)C1CC2CCC(C1)N2
InChIInChI=1S/C18H27FN2/c1-3-8-21(12-14-9-15(19)5-4-13(14)2)18-10-16-6-7-17(11-18)20-16/h4-5,9,16-18,20H,3,6-8,10-12H2,1-2H3
InChIKeyMVVFANRJKPQJIL-UHFFFAOYSA-N
XLogP3.63
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.43
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2,4-difluorophenyl)methyl]-N-propyl-8-azabicyclo[3.2.1]octan-3-amine
CID 61232072
N-[(3,5-difluorophenyl)methyl]-N-propyl-8-azabicyclo[3.2.1]octan-3-amine
CID 105404880
N-[(2-ethylphenyl)methyl]-N-propyl-8-azabicyclo[3.2.1]octan-3-amine
CID 62415870
N-[(2,4-dichlorophenyl)methyl]-N-propyl-8-azabicyclo[3.2.1]octan-3-amine
CID 61233028
N-[(2-chlorophenyl)methyl]-N-propyl-8-azabicyclo[3.2.1]octan-3-amine
CID 61231691
N-benzyl-N-propyl-8-azabicyclo[3.2.1]octan-3-amine
CID 61231305
N-[(2,5-difluorophenyl)methyl]-N-propylazetidin-3-amine
CID 66182006
N-(2-bromoethyl)-N-[(5-fluoro-2-methylphenyl)methyl]cyclobutanamine
CID 102860764
N-[(4-iodophenyl)methyl]-N-propyl-8-azabicyclo[3.2.1]octan-3-amine
CID 65477240
N-[(2-chloro-3-pyridinyl)methyl]-N-propyl-8-azabicyclo[3.2.1]octan-3-amine
CID 62470924
N-[(2-bromo-5-fluorophenyl)methyl]-N-propylpiperidin-4-amine;hydrochloride
CID 119933025
N-[(3-bromophenyl)methyl]-N-propyl-8-azabicyclo[3.2.1]octan-3-amine
CID 61231881

Frequently Asked Questions

What is the IUPAC name of N-[(5-fluoro-2-methylphenyl)methyl]-N-propyl-8-azabicyclo[3.2.1]octan-3-amine?
The IUPAC name of N-[(5-fluoro-2-methylphenyl)methyl]-N-propyl-8-azabicyclo[3.2.1]octan-3-amine (CID 105372550) is N-[(5-fluoro-2-methylphenyl)methyl]-N-propyl-8-azabicyclo[3.2.1]octan-3-amine.
What is the SMILES notation for N-[(5-fluoro-2-methylphenyl)methyl]-N-propyl-8-azabicyclo[3.2.1]octan-3-amine?
The canonical SMILES for N-[(5-fluoro-2-methylphenyl)methyl]-N-propyl-8-azabicyclo[3.2.1]octan-3-amine is CCCN(Cc1cc(F)ccc1C)C1CC2CCC(C1)N2.
What is the InChIKey of N-[(5-fluoro-2-methylphenyl)methyl]-N-propyl-8-azabicyclo[3.2.1]octan-3-amine?
The InChIKey is MVVFANRJKPQJIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27FN2/c1-3-8-21(12-14-9-15(19)5-4-13(14)2)18-10-16-6-7-17(11-18)20-16/h4-5,9,16-18,20H,3,6-8,10-12H2,1-2H3.
What are the key properties of N-[(5-fluoro-2-methylphenyl)methyl]-N-propyl-8-azabicyclo[3.2.1]octan-3-amine?
N-[(5-fluoro-2-methylphenyl)methyl]-N-propyl-8-azabicyclo[3.2.1]octan-3-amine has a molecular weight of 290.43 g/mol, XLogP of 3.63, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-fluoro-2-methylphenyl)methyl]-N-propyl-8-azabicyclo[3.2.1]octan-3-amine is sourced from PubChem (CID 105372550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).