1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-1-(3-ethoxyphenyl)-N-methylmethanamine

C18H22N2O — CID 79732092

IUPAC1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-1-(3-ethoxyphenyl)-N-methylmethanamine
SMILESCCOc1cccc(C(NC)C2CCc3cccnc32)c1
InChIInChI=1S/C18H22N2O/c1-3-21-15-8-4-6-14(12-15)17(19-2)16-10-9-13-7-5-11-20-18(13)16/h4-8,11-12,16-17,19H,3,9-10H2,1-2H3
InChIKeyKBDWCKDFIXDYOX-UHFFFAOYSA-N
MW282.39 g/mol
LogP3.47
Rot. Bonds5

About 1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-1-(3-ethoxyphenyl)-N-methylmethanamine

1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-1-(3-ethoxyphenyl)-N-methylmethanamine (PubChem CID 79732092) 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-(3-ethoxyphenyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-1-(3-ethoxyphenyl)-N-methylmethanamine
PubChem CID79732092
Molecular FormulaC18H22N2O
Molecular Weight282.39 g/mol
Exact Mass282.17
IUPAC Name1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-1-(3-ethoxyphenyl)-N-methylmethanamine
SMILESCCOc1cccc(C(NC)C2CCc3cccnc32)c1
InChIInChI=1S/C18H22N2O/c1-3-21-15-8-4-6-14(12-15)17(19-2)16-10-9-13-7-5-11-20-18(13)16/h4-8,11-12,16-17,19H,3,9-10H2,1-2H3
InChIKeyKBDWCKDFIXDYOX-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-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-1-(2-ethoxyphenyl)-N-methylmethanamine
CID 115533883
1-(3,4-dichlorophenyl)-1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-N-methylmethanamine
CID 81491760
(3-ethoxyphenyl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanamine
CID 79731976
(3-ethoxyphenyl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanol
CID 79721633
1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-N-methyl-1-(3,4,5-trifluorophenyl)methanamine
CID 79733088
2-(3-chlorophenoxy)-1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-N-methylethanamine
CID 105165989
1-(3-bromo-4-methylphenyl)-1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-N-methylmethanamine
CID 105009845
1-(3-chlorophenyl)-N-methyl-1-(5,6,7,8-tetrahydroquinolin-8-yl)methanamine
CID 79748499
N-[6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl-(3-methylphenyl)methyl]ethanamine
CID 79748587
1-(4-bromo-3,5-dimethylphenyl)-1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-N-methylmethanamine
CID 114330478
1-(3-bromo-5-chlorophenyl)-1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-N-methylmethanamine
CID 107946316
1-(3-ethoxyphenyl)-N-methyl-1-(oxan-4-yl)methanamine
CID 63935050

Frequently Asked Questions

What is the IUPAC name of 1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-1-(3-ethoxyphenyl)-N-methylmethanamine?
The IUPAC name of 1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-1-(3-ethoxyphenyl)-N-methylmethanamine (CID 79732092) is 1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-1-(3-ethoxyphenyl)-N-methylmethanamine.
What is the SMILES notation for 1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-1-(3-ethoxyphenyl)-N-methylmethanamine?
The canonical SMILES for 1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-1-(3-ethoxyphenyl)-N-methylmethanamine is CCOc1cccc(C(NC)C2CCc3cccnc32)c1.
What is the InChIKey of 1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-1-(3-ethoxyphenyl)-N-methylmethanamine?
The InChIKey is KBDWCKDFIXDYOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O/c1-3-21-15-8-4-6-14(12-15)17(19-2)16-10-9-13-7-5-11-20-18(13)16/h4-8,11-12,16-17,19H,3,9-10H2,1-2H3.
What are the key properties of 1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-1-(3-ethoxyphenyl)-N-methylmethanamine?
1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-1-(3-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-(3-ethoxyphenyl)-N-methylmethanamine is sourced from PubChem (CID 79732092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).