1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-N-methyl-1-(3,4,5-trifluorophenyl)methanamine

C16H15F3N2 — CID 79733088

IUPAC1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-N-methyl-1-(3,4,5-trifluorophenyl)methanamine
SMILESCNC(c1cc(F)c(F)c(F)c1)C1CCc2cccnc21
InChIInChI=1S/C16H15F3N2/c1-20-15(10-7-12(17)14(19)13(18)8-10)11-5-4-9-3-2-6-21-16(9)11/h2-3,6-8,11,15,20H,4-5H2,1H3
InChIKeyAXCINCKXSQZJPD-UHFFFAOYSA-N
MW292.30 g/mol
LogP3.49
Rot. Bonds3

About 1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-N-methyl-1-(3,4,5-trifluorophenyl)methanamine

1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-N-methyl-1-(3,4,5-trifluorophenyl)methanamine (PubChem CID 79733088) has the molecular formula C16H15F3N2 and a molecular weight of 292.30 g/mol. Its IUPAC name is 1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-N-methyl-1-(3,4,5-trifluorophenyl)methanamine.

Molecular Properties

Compound Name1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-N-methyl-1-(3,4,5-trifluorophenyl)methanamine
PubChem CID79733088
Molecular FormulaC16H15F3N2
Molecular Weight292.30 g/mol
Exact Mass292.12
IUPAC Name1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-N-methyl-1-(3,4,5-trifluorophenyl)methanamine
SMILESCNC(c1cc(F)c(F)c(F)c1)C1CCc2cccnc21
InChIInChI=1S/C16H15F3N2/c1-20-15(10-7-12(17)14(19)13(18)8-10)11-5-4-9-3-2-6-21-16(9)11/h2-3,6-8,11,15,20H,4-5H2,1H3
InChIKeyAXCINCKXSQZJPD-UHFFFAOYSA-N
XLogP3.49
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.30
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

1-(4-bromo-3,5-dimethylphenyl)-1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-N-methylmethanamine
CID 114330478
6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl-(3,4,5-trifluorophenyl)methanol
CID 79739398
1-(2,6-difluoro-3-methylphenyl)-1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-N-methylmethanamine
CID 105009920
1-(3,4-dichlorophenyl)-1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-N-methylmethanamine
CID 81491760
1-(3-bromo-5-chlorophenyl)-1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-N-methylmethanamine
CID 107946316
1-(3-bromo-4-methylphenyl)-1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-N-methylmethanamine
CID 105009845
1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-1-(3-ethoxyphenyl)-N-methylmethanamine
CID 79732092
N-[6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl-(2-fluoro-4-methylphenyl)methyl]ethanamine
CID 105009812
1-(2-bromo-4-chlorophenyl)-1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-N-methylmethanamine
CID 107994272
1-(2-bromophenyl)-1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-N-methylmethanamine
CID 79747890
1-(5-chlorofuran-2-yl)-1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-N-methylmethanamine
CID 106692576
1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-1-(2-ethoxyphenyl)-N-methylmethanamine
CID 115533883

Frequently Asked Questions

What is the IUPAC name of 1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-N-methyl-1-(3,4,5-trifluorophenyl)methanamine?
The IUPAC name of 1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-N-methyl-1-(3,4,5-trifluorophenyl)methanamine (CID 79733088) is 1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-N-methyl-1-(3,4,5-trifluorophenyl)methanamine.
What is the SMILES notation for 1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-N-methyl-1-(3,4,5-trifluorophenyl)methanamine?
The canonical SMILES for 1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-N-methyl-1-(3,4,5-trifluorophenyl)methanamine is CNC(c1cc(F)c(F)c(F)c1)C1CCc2cccnc21.
What is the InChIKey of 1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-N-methyl-1-(3,4,5-trifluorophenyl)methanamine?
The InChIKey is AXCINCKXSQZJPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F3N2/c1-20-15(10-7-12(17)14(19)13(18)8-10)11-5-4-9-3-2-6-21-16(9)11/h2-3,6-8,11,15,20H,4-5H2,1H3.
What are the key properties of 1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-N-methyl-1-(3,4,5-trifluorophenyl)methanamine?
1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-N-methyl-1-(3,4,5-trifluorophenyl)methanamine has a molecular weight of 292.30 g/mol, XLogP of 3.49, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-N-methyl-1-(3,4,5-trifluorophenyl)methanamine is sourced from PubChem (CID 79733088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).