1-(2-fluoro-5-methylphenyl)-N-methyl-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methanamine

C17H25FN2 — CID 115998167

IUPAC1-(2-fluoro-5-methylphenyl)-N-methyl-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methanamine
SMILESCNC(c1cc(C)ccc1F)C1CC2CCC(C1)N2C
InChIInChI=1S/C17H25FN2/c1-11-4-7-16(18)15(8-11)17(19-2)12-9-13-5-6-14(10-12)20(13)3/h4,7-8,12-14,17,19H,5-6,9-10H2,1-3H3
InChIKeySIDUWQCIQYQMOU-UHFFFAOYSA-N
MW276.40 g/mol
LogP3.27
Rot. Bonds3

About 1-(2-fluoro-5-methylphenyl)-N-methyl-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methanamine

1-(2-fluoro-5-methylphenyl)-N-methyl-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methanamine (PubChem CID 115998167) has the molecular formula C17H25FN2 and a molecular weight of 276.40 g/mol. Its IUPAC name is 1-(2-fluoro-5-methylphenyl)-N-methyl-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methanamine.

Molecular Properties

Compound Name1-(2-fluoro-5-methylphenyl)-N-methyl-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methanamine
PubChem CID115998167
Molecular FormulaC17H25FN2
Molecular Weight276.40 g/mol
Exact Mass276.20
IUPAC Name1-(2-fluoro-5-methylphenyl)-N-methyl-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methanamine
SMILESCNC(c1cc(C)ccc1F)C1CC2CCC(C1)N2C
InChIInChI=1S/C17H25FN2/c1-11-4-7-16(18)15(8-11)17(19-2)12-9-13-5-6-14(10-12)20(13)3/h4,7-8,12-14,17,19H,5-6,9-10H2,1-3H3
InChIKeySIDUWQCIQYQMOU-UHFFFAOYSA-N
XLogP3.27
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.40
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(2-fluoro-5-methylphenyl)-N-methyl-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methanamine with MolForge

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Related Compounds

N-[(2-fluoro-5-methylphenyl)-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]ethanamine
CID 115998275
1-(5-bromo-2-fluorophenyl)-N-methyl-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methanamine
CID 115998070
1-cyclopropyl-1-(2-fluoro-5-methylphenyl)-N-methylmethanamine
CID 62791210
N-methyl-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1-(2,3,4-trifluorophenyl)methanamine
CID 115998083
1-(2-fluoro-5-methylphenyl)-N-methyl-1-(4-methylcyclohexyl)methanamine
CID 63415562
1-(2,3-difluoro-4-methylphenyl)-N-methyl-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methanamine
CID 107513778
1-(3-ethylcyclopentyl)-1-(2-fluoro-5-methylphenyl)-N-methylmethanamine
CID 65409640
1-(4,4-difluorocyclohexyl)-1-(2-fluoro-5-methylphenyl)-N-methylmethanamine
CID 105143269
1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-1-(2-fluoro-5-methylphenyl)-N-methylmethanamine
CID 115852814
N-methyl-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1-(2,4,5-trimethylphenyl)methanamine
CID 115998144
1-(4-fluorophenyl)-N-methyl-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methanamine
CID 112681196
[(2,4-dimethylphenyl)-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]hydrazine
CID 105265750

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoro-5-methylphenyl)-N-methyl-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methanamine?
The IUPAC name of 1-(2-fluoro-5-methylphenyl)-N-methyl-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methanamine (CID 115998167) is 1-(2-fluoro-5-methylphenyl)-N-methyl-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methanamine.
What is the SMILES notation for 1-(2-fluoro-5-methylphenyl)-N-methyl-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methanamine?
The canonical SMILES for 1-(2-fluoro-5-methylphenyl)-N-methyl-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methanamine is CNC(c1cc(C)ccc1F)C1CC2CCC(C1)N2C.
What is the InChIKey of 1-(2-fluoro-5-methylphenyl)-N-methyl-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methanamine?
The InChIKey is SIDUWQCIQYQMOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25FN2/c1-11-4-7-16(18)15(8-11)17(19-2)12-9-13-5-6-14(10-12)20(13)3/h4,7-8,12-14,17,19H,5-6,9-10H2,1-3H3.
What are the key properties of 1-(2-fluoro-5-methylphenyl)-N-methyl-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methanamine?
1-(2-fluoro-5-methylphenyl)-N-methyl-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methanamine has a molecular weight of 276.40 g/mol, XLogP of 3.27, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoro-5-methylphenyl)-N-methyl-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methanamine is sourced from PubChem (CID 115998167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).