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

C15H17BrN2O — CID 105009872

IUPACN-[(5-bromofuran-2-yl)-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)methyl]ethanamine
SMILESCCNC(c1ccc(Br)o1)C1CCc2cccnc21
InChIInChI=1S/C15H17BrN2O/c1-2-17-15(12-7-8-13(16)19-12)11-6-5-10-4-3-9-18-14(10)11/h3-4,7-9,11,15,17H,2,5-6H2,1H3
InChIKeyPSPHDDSMQXZGPK-UHFFFAOYSA-N
MW321.22 g/mol
LogP3.82
Rot. Bonds4

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

N-[(5-bromofuran-2-yl)-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)methyl]ethanamine (PubChem CID 105009872) has the molecular formula C15H17BrN2O and a molecular weight of 321.22 g/mol. Its IUPAC name is N-[(5-bromofuran-2-yl)-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(5-bromofuran-2-yl)-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)methyl]ethanamine
PubChem CID105009872
Molecular FormulaC15H17BrN2O
Molecular Weight321.22 g/mol
Exact Mass320.05
IUPAC NameN-[(5-bromofuran-2-yl)-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)methyl]ethanamine
SMILESCCNC(c1ccc(Br)o1)C1CCc2cccnc21
InChIInChI=1S/C15H17BrN2O/c1-2-17-15(12-7-8-13(16)19-12)11-6-5-10-4-3-9-18-14(10)11/h3-4,7-9,11,15,17H,2,5-6H2,1H3
InChIKeyPSPHDDSMQXZGPK-UHFFFAOYSA-N
XLogP3.82
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.22
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

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Related Compounds

N-[(5-bromofuran-2-yl)-(5,6,7,8-tetrahydroquinolin-8-yl)methyl]ethanamine
CID 105007431
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(pyrimidin-5-yl)methyl]ethanamine
CID 102923636
N-[6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl-(3-methylphenyl)methyl]ethanamine
CID 79748587
N-[6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl-(2-methoxy-3-pyridinyl)methyl]ethanamine
CID 105166089
N-[6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl-(2-fluoro-4-methylphenyl)methyl]ethanamine
CID 105009812
1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-N-ethyl-2,3-dimethylbutan-1-amine
CID 105009967
N-[cyclopentyl(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)methyl]ethanamine
CID 79748352
N-[(5-bromofuran-2-yl)-(1,2,3,4-tetrahydronaphthalen-2-yl)methyl]ethanamine
CID 107126566
1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-N-ethylpentan-1-amine
CID 79747782
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)-N-ethyl-3,3,3-trifluoropropan-1-amine
CID 79747811

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromofuran-2-yl)-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)methyl]ethanamine?
The IUPAC name of N-[(5-bromofuran-2-yl)-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)methyl]ethanamine (CID 105009872) is N-[(5-bromofuran-2-yl)-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)methyl]ethanamine.
What is the SMILES notation for N-[(5-bromofuran-2-yl)-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)methyl]ethanamine?
The canonical SMILES for N-[(5-bromofuran-2-yl)-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)methyl]ethanamine is CCNC(c1ccc(Br)o1)C1CCc2cccnc21.
What is the InChIKey of N-[(5-bromofuran-2-yl)-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)methyl]ethanamine?
The InChIKey is PSPHDDSMQXZGPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrN2O/c1-2-17-15(12-7-8-13(16)19-12)11-6-5-10-4-3-9-18-14(10)11/h3-4,7-9,11,15,17H,2,5-6H2,1H3.
What are the key properties of N-[(5-bromofuran-2-yl)-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)methyl]ethanamine?
N-[(5-bromofuran-2-yl)-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)methyl]ethanamine has a molecular weight of 321.22 g/mol, XLogP of 3.82, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromofuran-2-yl)-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)methyl]ethanamine is sourced from PubChem (CID 105009872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).