1-(7-bicyclo[4.1.0]heptanyl)-2-(5-fluoro-2-methylphenyl)-N-methylethanamine

C17H24FN — CID 105377331

IUPAC1-(7-bicyclo[4.1.0]heptanyl)-2-(5-fluoro-2-methylphenyl)-N-methylethanamine
SMILESCNC(Cc1cc(F)ccc1C)C1C2CCCCC21
InChIInChI=1S/C17H24FN/c1-11-7-8-13(18)9-12(11)10-16(19-2)17-14-5-3-4-6-15(14)17/h7-9,14-17,19H,3-6,10H2,1-2H3
InChIKeyTZNPTOKFWUJJCW-UHFFFAOYSA-N
MW261.38 g/mol
LogP3.70
Rot. Bonds4

About 1-(7-bicyclo[4.1.0]heptanyl)-2-(5-fluoro-2-methylphenyl)-N-methylethanamine

1-(7-bicyclo[4.1.0]heptanyl)-2-(5-fluoro-2-methylphenyl)-N-methylethanamine (PubChem CID 105377331) has the molecular formula C17H24FN and a molecular weight of 261.38 g/mol. Its IUPAC name is 1-(7-bicyclo[4.1.0]heptanyl)-2-(5-fluoro-2-methylphenyl)-N-methylethanamine.

Molecular Properties

Compound Name1-(7-bicyclo[4.1.0]heptanyl)-2-(5-fluoro-2-methylphenyl)-N-methylethanamine
PubChem CID105377331
Molecular FormulaC17H24FN
Molecular Weight261.38 g/mol
Exact Mass261.19
IUPAC Name1-(7-bicyclo[4.1.0]heptanyl)-2-(5-fluoro-2-methylphenyl)-N-methylethanamine
SMILESCNC(Cc1cc(F)ccc1C)C1C2CCCCC21
InChIInChI=1S/C17H24FN/c1-11-7-8-13(18)9-12(11)10-16(19-2)17-14-5-3-4-6-15(14)17/h7-9,14-17,19H,3-6,10H2,1-2H3
InChIKeyTZNPTOKFWUJJCW-UHFFFAOYSA-N
XLogP3.70
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.38
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 1-(7-bicyclo[4.1.0]heptanyl)-2-(5-fluoro-2-methylphenyl)-N-methylethanamine with MolForge

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Related Compounds

N-[1-(6-bicyclo[3.1.0]hexanyl)-2-(5-fluoro-2-methylphenyl)ethyl]propan-1-amine
CID 105377335
1-(2,3-dihydro-1H-inden-2-yl)-2-(5-fluoro-2-methylphenyl)-N-methylethanamine
CID 105374018
1-cyclohexyl-N-ethyl-2-(5-fluoro-2-methylphenyl)ethanamine
CID 105373724
1-cyclooctyl-N-ethyl-2-(5-fluoro-2-methylphenyl)ethanamine
CID 105374209
1-cyclohexylsulfanyl-3-(5-fluoro-2-methylphenyl)-N-methylpropan-2-amine
CID 105373963
[1-(7-bicyclo[4.1.0]heptanyl)-2-(2,4-difluorophenyl)ethyl]hydrazine
CID 105291870
1-(7-bicyclo[4.1.0]heptanyl)-2-(2-bromo-5-fluorophenyl)-N-ethylethanamine
CID 115843516
1-cycloheptyl-2-(5-fluoro-2-methylphenyl)ethanamine
CID 105373996
1-cyclopropyl-N-ethyl-2-(5-fluoro-2-methylphenyl)ethanamine
CID 105373730
1-(1,4-dithian-2-yl)-2-(5-fluoro-2-methylphenyl)-N-methylethanamine
CID 105374162
1-(6-bicyclo[3.1.0]hexanyl)-N-methyl-2-(2,4,6-trimethylphenyl)ethanamine
CID 115828599
[1-(6-bicyclo[3.1.0]hexanyl)-2-(2,5-dimethylphenyl)ethyl]hydrazine
CID 105287770

Frequently Asked Questions

What is the IUPAC name of 1-(7-bicyclo[4.1.0]heptanyl)-2-(5-fluoro-2-methylphenyl)-N-methylethanamine?
The IUPAC name of 1-(7-bicyclo[4.1.0]heptanyl)-2-(5-fluoro-2-methylphenyl)-N-methylethanamine (CID 105377331) is 1-(7-bicyclo[4.1.0]heptanyl)-2-(5-fluoro-2-methylphenyl)-N-methylethanamine.
What is the SMILES notation for 1-(7-bicyclo[4.1.0]heptanyl)-2-(5-fluoro-2-methylphenyl)-N-methylethanamine?
The canonical SMILES for 1-(7-bicyclo[4.1.0]heptanyl)-2-(5-fluoro-2-methylphenyl)-N-methylethanamine is CNC(Cc1cc(F)ccc1C)C1C2CCCCC21.
What is the InChIKey of 1-(7-bicyclo[4.1.0]heptanyl)-2-(5-fluoro-2-methylphenyl)-N-methylethanamine?
The InChIKey is TZNPTOKFWUJJCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24FN/c1-11-7-8-13(18)9-12(11)10-16(19-2)17-14-5-3-4-6-15(14)17/h7-9,14-17,19H,3-6,10H2,1-2H3.
What are the key properties of 1-(7-bicyclo[4.1.0]heptanyl)-2-(5-fluoro-2-methylphenyl)-N-methylethanamine?
1-(7-bicyclo[4.1.0]heptanyl)-2-(5-fluoro-2-methylphenyl)-N-methylethanamine has a molecular weight of 261.38 g/mol, XLogP of 3.70, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-bicyclo[4.1.0]heptanyl)-2-(5-fluoro-2-methylphenyl)-N-methylethanamine is sourced from PubChem (CID 105377331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).