8-(3,4-diethoxyphenyl)-8-azabicyclo[3.2.1]octan-3-amine

C17H26N2O2 — CID 62739979

IUPAC8-(3,4-diethoxyphenyl)-8-azabicyclo[3.2.1]octan-3-amine
SMILESCCOc1ccc(N2C3CCC2CC(N)C3)cc1OCC
InChIInChI=1S/C17H26N2O2/c1-3-20-16-8-7-15(11-17(16)21-4-2)19-13-5-6-14(19)10-12(18)9-13/h7-8,11-14H,3-6,9-10,18H2,1-2H3
InChIKeyFKNRDILLXOHKQF-UHFFFAOYSA-N
MW290.41 g/mol
LogP2.94
Rot. Bonds5

About 8-(3,4-diethoxyphenyl)-8-azabicyclo[3.2.1]octan-3-amine

8-(3,4-diethoxyphenyl)-8-azabicyclo[3.2.1]octan-3-amine (PubChem CID 62739979) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is 8-(3,4-diethoxyphenyl)-8-azabicyclo[3.2.1]octan-3-amine.

Molecular Properties

Compound Name8-(3,4-diethoxyphenyl)-8-azabicyclo[3.2.1]octan-3-amine
PubChem CID62739979
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name8-(3,4-diethoxyphenyl)-8-azabicyclo[3.2.1]octan-3-amine
SMILESCCOc1ccc(N2C3CCC2CC(N)C3)cc1OCC
InChIInChI=1S/C17H26N2O2/c1-3-20-16-8-7-15(11-17(16)21-4-2)19-13-5-6-14(19)10-12(18)9-13/h7-8,11-14H,3-6,9-10,18H2,1-2H3
InChIKeyFKNRDILLXOHKQF-UHFFFAOYSA-N
XLogP2.94
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

8-(3-ethoxy-4-nitrophenyl)-8-azabicyclo[3.2.1]octan-3-amine
CID 63671678
1-(3,4-diethoxyphenyl)-2,5-dimethylpyrrole
CID 43394734
8-(4-fluorophenyl)-8-azabicyclo[3.2.1]octan-3-amine
CID 62739948
1-(4-ethoxy-3-methylphenyl)piperidin-4-amine
CID 63214437
(4-aminocyclohexyl)-(3,4-diethoxyphenyl)methanone
CID 116557438
8-phenyl-8-azabicyclo[3.2.1]octan-3-amine
CID 62739086
4-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-N-ethylpyridine-2-carboxamide
CID 61234100
9-(3-fluoro-4-methylphenyl)-9-azabicyclo[3.3.1]nonan-3-amine
CID 62713246
4-(3,4-diethoxyphenyl)morpholine
CID 154477521
(3S,4R)-3-(3,4-diethoxyphenyl)-1-methylpiperidin-4-amine;dihydrochloride
CID 70021699
9-(6-methoxy-3-pyridinyl)-9-azabicyclo[3.3.1]nonan-3-amine
CID 62712348
2-(3,4-diethoxyphenyl)cyclopentan-1-amine
CID 62802273

Frequently Asked Questions

What is the IUPAC name of 8-(3,4-diethoxyphenyl)-8-azabicyclo[3.2.1]octan-3-amine?
The IUPAC name of 8-(3,4-diethoxyphenyl)-8-azabicyclo[3.2.1]octan-3-amine (CID 62739979) is 8-(3,4-diethoxyphenyl)-8-azabicyclo[3.2.1]octan-3-amine.
What is the SMILES notation for 8-(3,4-diethoxyphenyl)-8-azabicyclo[3.2.1]octan-3-amine?
The canonical SMILES for 8-(3,4-diethoxyphenyl)-8-azabicyclo[3.2.1]octan-3-amine is CCOc1ccc(N2C3CCC2CC(N)C3)cc1OCC.
What is the InChIKey of 8-(3,4-diethoxyphenyl)-8-azabicyclo[3.2.1]octan-3-amine?
The InChIKey is FKNRDILLXOHKQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-3-20-16-8-7-15(11-17(16)21-4-2)19-13-5-6-14(19)10-12(18)9-13/h7-8,11-14H,3-6,9-10,18H2,1-2H3.
What are the key properties of 8-(3,4-diethoxyphenyl)-8-azabicyclo[3.2.1]octan-3-amine?
8-(3,4-diethoxyphenyl)-8-azabicyclo[3.2.1]octan-3-amine has a molecular weight of 290.41 g/mol, XLogP of 2.94, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(3,4-diethoxyphenyl)-8-azabicyclo[3.2.1]octan-3-amine is sourced from PubChem (CID 62739979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).