1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-1-(2-ethoxyphenyl)-N-methylmethanamine

C18H22N2O — CID 115533883

IUPAC1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-1-(2-ethoxyphenyl)-N-methylmethanamine
SMILESCCOc1ccccc1C(NC)C1CCc2cccnc21
InChIInChI=1S/C18H22N2O/c1-3-21-16-9-5-4-8-14(16)18(19-2)15-11-10-13-7-6-12-20-17(13)15/h4-9,12,15,18-19H,3,10-11H2,1-2H3
InChIKeyDIOUCGQYCUGXAC-UHFFFAOYSA-N
MW282.39 g/mol
LogP3.47
Rot. Bonds5

About 1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-1-(2-ethoxyphenyl)-N-methylmethanamine

1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-1-(2-ethoxyphenyl)-N-methylmethanamine (PubChem CID 115533883) has the molecular formula C18H22N2O and a molecular weight of 282.39 g/mol. Its IUPAC name is 1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-1-(2-ethoxyphenyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-1-(2-ethoxyphenyl)-N-methylmethanamine
PubChem CID115533883
Molecular FormulaC18H22N2O
Molecular Weight282.39 g/mol
Exact Mass282.17
IUPAC Name1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-1-(2-ethoxyphenyl)-N-methylmethanamine
SMILESCCOc1ccccc1C(NC)C1CCc2cccnc21
InChIInChI=1S/C18H22N2O/c1-3-21-16-9-5-4-8-14(16)18(19-2)15-11-10-13-7-6-12-20-17(13)15/h4-9,12,15,18-19H,3,10-11H2,1-2H3
InChIKeyDIOUCGQYCUGXAC-UHFFFAOYSA-N
XLogP3.47
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-bromophenyl)-1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-N-methylmethanamine
CID 79747890
1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-1-(3-ethoxyphenyl)-N-methylmethanamine
CID 79732092
1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-N-methyl-1-(3,4,5-trifluorophenyl)methanamine
CID 79733088
N-methyl-1-(2-methyl-3-pyridinyl)-1-(5,6,7,8-tetrahydroquinolin-8-yl)methanamine
CID 105164680
1-(3,4-dichlorophenyl)-1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-N-methylmethanamine
CID 81491760
N-[6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl-(2-methoxy-3-pyridinyl)methyl]ethanamine
CID 105166089
6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl-(2-methoxyphenyl)methanamine
CID 79745843
1-(4-bromo-3,5-dimethylphenyl)-1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-N-methylmethanamine
CID 114330478
1-(2-bromo-4-chlorophenyl)-1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-N-methylmethanamine
CID 107994272
1-(5-chlorofuran-2-yl)-1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-N-methylmethanamine
CID 106692576
1-cyclopentyl-1-(2-ethoxyphenyl)-N-methylmethanamine
CID 62801897
1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-N-methyl-3-phenylpropan-1-amine
CID 79748593

Frequently Asked Questions

What is the IUPAC name of 1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-1-(2-ethoxyphenyl)-N-methylmethanamine?
The IUPAC name of 1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-1-(2-ethoxyphenyl)-N-methylmethanamine (CID 115533883) is 1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-1-(2-ethoxyphenyl)-N-methylmethanamine.
What is the SMILES notation for 1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-1-(2-ethoxyphenyl)-N-methylmethanamine?
The canonical SMILES for 1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-1-(2-ethoxyphenyl)-N-methylmethanamine is CCOc1ccccc1C(NC)C1CCc2cccnc21.
What is the InChIKey of 1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-1-(2-ethoxyphenyl)-N-methylmethanamine?
The InChIKey is DIOUCGQYCUGXAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O/c1-3-21-16-9-5-4-8-14(16)18(19-2)15-11-10-13-7-6-12-20-17(13)15/h4-9,12,15,18-19H,3,10-11H2,1-2H3.
What are the key properties of 1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-1-(2-ethoxyphenyl)-N-methylmethanamine?
1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-1-(2-ethoxyphenyl)-N-methylmethanamine has a molecular weight of 282.39 g/mol, XLogP of 3.47, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-1-(2-ethoxyphenyl)-N-methylmethanamine is sourced from PubChem (CID 115533883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).