2-(2-bicyclo[2.2.1]heptanyl)-1-(4-fluoro-3-methylphenyl)-N-methylethanamine

C17H24FN — CID 79559314

IUPAC2-(2-bicyclo[2.2.1]heptanyl)-1-(4-fluoro-3-methylphenyl)-N-methylethanamine
SMILESCNC(CC1CC2CCC1C2)c1ccc(F)c(C)c1
InChIInChI=1S/C17H24FN/c1-11-7-14(5-6-16(11)18)17(19-2)10-15-9-12-3-4-13(15)8-12/h5-7,12-13,15,17,19H,3-4,8-10H2,1-2H3
InChIKeyUDSMDCBDTNPDMD-UHFFFAOYSA-N
MW261.38 g/mol
LogP4.22
Rot. Bonds4

About 2-(2-bicyclo[2.2.1]heptanyl)-1-(4-fluoro-3-methylphenyl)-N-methylethanamine

2-(2-bicyclo[2.2.1]heptanyl)-1-(4-fluoro-3-methylphenyl)-N-methylethanamine (PubChem CID 79559314) has the molecular formula C17H24FN and a molecular weight of 261.38 g/mol. Its IUPAC name is 2-(2-bicyclo[2.2.1]heptanyl)-1-(4-fluoro-3-methylphenyl)-N-methylethanamine.

Molecular Properties

Compound Name2-(2-bicyclo[2.2.1]heptanyl)-1-(4-fluoro-3-methylphenyl)-N-methylethanamine
PubChem CID79559314
Molecular FormulaC17H24FN
Molecular Weight261.38 g/mol
Exact Mass261.19
IUPAC Name2-(2-bicyclo[2.2.1]heptanyl)-1-(4-fluoro-3-methylphenyl)-N-methylethanamine
SMILESCNC(CC1CC2CCC1C2)c1ccc(F)c(C)c1
InChIInChI=1S/C17H24FN/c1-11-7-14(5-6-16(11)18)17(19-2)10-15-9-12-3-4-13(15)8-12/h5-7,12-13,15,17,19H,3-4,8-10H2,1-2H3
InChIKeyUDSMDCBDTNPDMD-UHFFFAOYSA-N
XLogP4.22
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 ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(2-bicyclo[2.2.1]heptanyl)-1-(3,4-dimethylphenyl)-N-methylethanamine
CID 43480253
2-cyclopentyl-1-(4-fluoro-3-methylphenyl)-N-methylethanamine
CID 62601380
2-(2-bicyclo[2.2.1]heptanyl)-1-[4-(difluoromethoxy)phenyl]-N-methylethanamine
CID 105012798
2-(2-bicyclo[2.2.1]heptanyl)-1-(3-chloro-4-methoxyphenyl)-N-methylethanamine
CID 43480990
2-(2-bicyclo[2.2.1]heptanyl)-1-[3-(difluoromethoxy)phenyl]-N-methylethanamine
CID 105012799
2-(2-bicyclo[2.2.1]heptanyl)-1-(4-chloro-3-fluorophenyl)-N-ethylethanamine
CID 107994380
2-(2-bicyclo[2.2.1]heptanyl)-1-(2,4-dichlorophenyl)-N-methylethanamine
CID 63502583
2-(2-bicyclo[2.2.1]heptanyl)-1-(3-bromo-4-ethoxyphenyl)-N-methylethanamine
CID 104657552
2-(2-bicyclo[2.2.1]heptanyl)-1-(3,4-dihydro-2H-chromen-6-yl)-N-methylethanamine
CID 63502032
2-(2-bicyclo[2.2.1]heptanyl)-1-(3-fluoro-4-methylphenyl)ethanamine
CID 79557851
2-(2-bicyclo[2.2.1]heptanyl)-1-(2-bromo-5-methylphenyl)-N-methylethanamine
CID 105012696
2-(2-bicyclo[2.2.1]heptanyl)-1-(4-bromo-3,5-dimethylphenyl)-N-ethylethanamine
CID 114330715

Frequently Asked Questions

What is the IUPAC name of 2-(2-bicyclo[2.2.1]heptanyl)-1-(4-fluoro-3-methylphenyl)-N-methylethanamine?
The IUPAC name of 2-(2-bicyclo[2.2.1]heptanyl)-1-(4-fluoro-3-methylphenyl)-N-methylethanamine (CID 79559314) is 2-(2-bicyclo[2.2.1]heptanyl)-1-(4-fluoro-3-methylphenyl)-N-methylethanamine.
What is the SMILES notation for 2-(2-bicyclo[2.2.1]heptanyl)-1-(4-fluoro-3-methylphenyl)-N-methylethanamine?
The canonical SMILES for 2-(2-bicyclo[2.2.1]heptanyl)-1-(4-fluoro-3-methylphenyl)-N-methylethanamine is CNC(CC1CC2CCC1C2)c1ccc(F)c(C)c1.
What is the InChIKey of 2-(2-bicyclo[2.2.1]heptanyl)-1-(4-fluoro-3-methylphenyl)-N-methylethanamine?
The InChIKey is UDSMDCBDTNPDMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24FN/c1-11-7-14(5-6-16(11)18)17(19-2)10-15-9-12-3-4-13(15)8-12/h5-7,12-13,15,17,19H,3-4,8-10H2,1-2H3.
What are the key properties of 2-(2-bicyclo[2.2.1]heptanyl)-1-(4-fluoro-3-methylphenyl)-N-methylethanamine?
2-(2-bicyclo[2.2.1]heptanyl)-1-(4-fluoro-3-methylphenyl)-N-methylethanamine has a molecular weight of 261.38 g/mol, XLogP of 4.22, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bicyclo[2.2.1]heptanyl)-1-(4-fluoro-3-methylphenyl)-N-methylethanamine is sourced from PubChem (CID 79559314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).