N-[6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl-(2-fluoro-4-methylphenyl)methyl]ethanamine

C18H21FN2 — CID 105009812

IUPACN-[6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl-(2-fluoro-4-methylphenyl)methyl]ethanamine
SMILESCCNC(c1ccc(C)cc1F)C1CCc2cccnc21
InChIInChI=1S/C18H21FN2/c1-3-20-18(14-8-6-12(2)11-16(14)19)15-9-7-13-5-4-10-21-17(13)15/h4-6,8,10-11,15,18,20H,3,7,9H2,1-2H3
InChIKeyOUWJBPPEAWTVFO-UHFFFAOYSA-N
MW284.38 g/mol
LogP3.91
Rot. Bonds4

About N-[6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl-(2-fluoro-4-methylphenyl)methyl]ethanamine

N-[6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl-(2-fluoro-4-methylphenyl)methyl]ethanamine (PubChem CID 105009812) has the molecular formula C18H21FN2 and a molecular weight of 284.38 g/mol. Its IUPAC name is N-[6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl-(2-fluoro-4-methylphenyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl-(2-fluoro-4-methylphenyl)methyl]ethanamine
PubChem CID105009812
Molecular FormulaC18H21FN2
Molecular Weight284.38 g/mol
Exact Mass284.17
IUPAC NameN-[6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl-(2-fluoro-4-methylphenyl)methyl]ethanamine
SMILESCCNC(c1ccc(C)cc1F)C1CCc2cccnc21
InChIInChI=1S/C18H21FN2/c1-3-20-18(14-8-6-12(2)11-16(14)19)15-9-7-13-5-4-10-21-17(13)15/h4-6,8,10-11,15,18,20H,3,7,9H2,1-2H3
InChIKeyOUWJBPPEAWTVFO-UHFFFAOYSA-N
XLogP3.91
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl-(2-fluoro-4-methylphenyl)methyl]ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl-(3-methylphenyl)methyl]ethanamine
CID 79748587
N-[(3-bromo-2-methylphenyl)-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)methyl]ethanamine
CID 105009686
N-[6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl-(2-methoxy-3-pyridinyl)methyl]ethanamine
CID 105166089
1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-N-methyl-1-(3,4,5-trifluorophenyl)methanamine
CID 79733088
N-[6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl(pyrimidin-5-yl)methyl]ethanamine
CID 102923636
N-[(5-bromofuran-2-yl)-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)methyl]ethanamine
CID 105009872
[6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl-(2,5-dimethylphenyl)methyl]hydrazine
CID 105322018
N-[6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl-(4-methyl-3-pyridinyl)methyl]propan-1-amine
CID 114878556
N-[6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl-(2,5-dimethylfuran-3-yl)methyl]propan-1-amine
CID 105009683
1-(2,6-difluoro-3-methylphenyl)-1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-N-methylmethanamine
CID 105009920
1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-N-ethyl-3,3,3-trifluoropropan-1-amine
CID 79747811
N-[cyclopentyl(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)methyl]ethanamine
CID 79748352

Frequently Asked Questions

What is the IUPAC name of N-[6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl-(2-fluoro-4-methylphenyl)methyl]ethanamine?
The IUPAC name of N-[6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl-(2-fluoro-4-methylphenyl)methyl]ethanamine (CID 105009812) is N-[6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl-(2-fluoro-4-methylphenyl)methyl]ethanamine.
What is the SMILES notation for N-[6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl-(2-fluoro-4-methylphenyl)methyl]ethanamine?
The canonical SMILES for N-[6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl-(2-fluoro-4-methylphenyl)methyl]ethanamine is CCNC(c1ccc(C)cc1F)C1CCc2cccnc21.
What is the InChIKey of N-[6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl-(2-fluoro-4-methylphenyl)methyl]ethanamine?
The InChIKey is OUWJBPPEAWTVFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN2/c1-3-20-18(14-8-6-12(2)11-16(14)19)15-9-7-13-5-4-10-21-17(13)15/h4-6,8,10-11,15,18,20H,3,7,9H2,1-2H3.
What are the key properties of N-[6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl-(2-fluoro-4-methylphenyl)methyl]ethanamine?
N-[6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl-(2-fluoro-4-methylphenyl)methyl]ethanamine has a molecular weight of 284.38 g/mol, XLogP of 3.91, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl-(2-fluoro-4-methylphenyl)methyl]ethanamine is sourced from PubChem (CID 105009812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).