N-[(3,5-difluorophenyl)-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]ethanamine

C17H24F2N2 — CID 115998273

IUPACN-[(3,5-difluorophenyl)-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]ethanamine
SMILESCCNC(c1cc(F)cc(F)c1)C1CC2CCC(C1)N2C
InChIInChI=1S/C17H24F2N2/c1-3-20-17(11-6-13(18)10-14(19)7-11)12-8-15-4-5-16(9-12)21(15)2/h6-7,10,12,15-17,20H,3-5,8-9H2,1-2H3
InChIKeyXIIRSMVSZCULNV-UHFFFAOYSA-N
MW294.39 g/mol
LogP3.49
Rot. Bonds4

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

N-[(3,5-difluorophenyl)-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]ethanamine (PubChem CID 115998273) has the molecular formula C17H24F2N2 and a molecular weight of 294.39 g/mol. Its IUPAC name is N-[(3,5-difluorophenyl)-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(3,5-difluorophenyl)-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]ethanamine
PubChem CID115998273
Molecular FormulaC17H24F2N2
Molecular Weight294.39 g/mol
Exact Mass294.19
IUPAC NameN-[(3,5-difluorophenyl)-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]ethanamine
SMILESCCNC(c1cc(F)cc(F)c1)C1CC2CCC(C1)N2C
InChIInChI=1S/C17H24F2N2/c1-3-20-17(11-6-13(18)10-14(19)7-11)12-8-15-4-5-16(9-12)21(15)2/h6-7,10,12,15-17,20H,3-5,8-9H2,1-2H3
InChIKeyXIIRSMVSZCULNV-UHFFFAOYSA-N
XLogP3.49
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.39
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[(3,5-difluorophenyl)-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]ethanamine with MolForge

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Related Compounds

N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-phenylmethyl]ethanamine
CID 112681259
N-[(3,5-difluorophenyl)-(3-methylcyclopentyl)methyl]ethanamine
CID 65414596
[(3-fluoro-5-methylphenyl)-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]hydrazine
CID 105265899
N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-thiophen-3-ylmethyl]ethanamine
CID 112681283
N-[(2-fluoro-5-methylphenyl)-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]ethanamine
CID 115998275
N-[cyclopentyl-(3-fluoro-5-methylphenyl)methyl]ethanamine
CID 79704680
N-[cycloocten-1-yl-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]ethanamine
CID 106654312
N-[(3-bromo-5-fluorophenyl)-(4-methylcyclohexyl)methyl]ethanamine
CID 66425051
1-(4-fluorophenyl)-N-methyl-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methanamine
CID 112681196
N-[(3,5-difluorophenyl)-(oxolan-2-yl)methyl]ethanamine
CID 65328304
N-[cyclooctyl-(4-fluoro-3,5-dimethylphenyl)methyl]ethanamine
CID 65299109
N-[(4-bromo-1-methylpyrazol-5-yl)-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]ethanamine
CID 114660219

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-difluorophenyl)-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]ethanamine?
The IUPAC name of N-[(3,5-difluorophenyl)-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]ethanamine (CID 115998273) is N-[(3,5-difluorophenyl)-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]ethanamine.
What is the SMILES notation for N-[(3,5-difluorophenyl)-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]ethanamine?
The canonical SMILES for N-[(3,5-difluorophenyl)-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]ethanamine is CCNC(c1cc(F)cc(F)c1)C1CC2CCC(C1)N2C.
What is the InChIKey of N-[(3,5-difluorophenyl)-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]ethanamine?
The InChIKey is XIIRSMVSZCULNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24F2N2/c1-3-20-17(11-6-13(18)10-14(19)7-11)12-8-15-4-5-16(9-12)21(15)2/h6-7,10,12,15-17,20H,3-5,8-9H2,1-2H3.
What are the key properties of N-[(3,5-difluorophenyl)-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]ethanamine?
N-[(3,5-difluorophenyl)-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]ethanamine has a molecular weight of 294.39 g/mol, XLogP of 3.49, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-difluorophenyl)-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]ethanamine is sourced from PubChem (CID 115998273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).