N-ethyl-8-[1-(4-methoxyphenyl)ethyl]-8-azabicyclo[3.2.1]octan-3-amine

C18H28N2O — CID 66242436

IUPACN-ethyl-8-[1-(4-methoxyphenyl)ethyl]-8-azabicyclo[3.2.1]octan-3-amine
SMILESCCNC1CC2CCC(C1)N2C(C)c1ccc(OC)cc1
InChIInChI=1S/C18H28N2O/c1-4-19-15-11-16-7-8-17(12-15)20(16)13(2)14-5-9-18(21-3)10-6-14/h5-6,9-10,13,15-17,19H,4,7-8,11-12H2,1-3H3
InChIKeyUBXIPZHYDMAFDA-UHFFFAOYSA-N
MW288.44 g/mol
LogP3.36
Rot. Bonds5

About N-ethyl-8-[1-(4-methoxyphenyl)ethyl]-8-azabicyclo[3.2.1]octan-3-amine

N-ethyl-8-[1-(4-methoxyphenyl)ethyl]-8-azabicyclo[3.2.1]octan-3-amine (PubChem CID 66242436) has the molecular formula C18H28N2O and a molecular weight of 288.44 g/mol. Its IUPAC name is N-ethyl-8-[1-(4-methoxyphenyl)ethyl]-8-azabicyclo[3.2.1]octan-3-amine.

Molecular Properties

Compound NameN-ethyl-8-[1-(4-methoxyphenyl)ethyl]-8-azabicyclo[3.2.1]octan-3-amine
PubChem CID66242436
Molecular FormulaC18H28N2O
Molecular Weight288.44 g/mol
Exact Mass288.22
IUPAC NameN-ethyl-8-[1-(4-methoxyphenyl)ethyl]-8-azabicyclo[3.2.1]octan-3-amine
SMILESCCNC1CC2CCC(C1)N2C(C)c1ccc(OC)cc1
InChIInChI=1S/C18H28N2O/c1-4-19-15-11-16-7-8-17(12-15)20(16)13(2)14-5-9-18(21-3)10-6-14/h5-6,9-10,13,15-17,19H,4,7-8,11-12H2,1-3H3
InChIKeyUBXIPZHYDMAFDA-UHFFFAOYSA-N
XLogP3.36
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.44
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

8-[1-(4-methylphenyl)ethyl]-N-propyl-8-azabicyclo[3.2.1]octan-3-amine
CID 62739866
N-ethyl-8-[1-(3-fluorophenyl)ethyl]-8-azabicyclo[3.2.1]octan-3-amine
CID 62739517
N-ethyl-8-propan-2-yl-8-azabicyclo[3.2.1]octan-3-amine
CID 62741048
N-ethyl-8-[1-(5-methylthiophen-2-yl)ethyl]-8-azabicyclo[3.2.1]octan-3-amine
CID 62740022
N-propyl-8-(1-pyridin-4-ylethyl)-8-azabicyclo[3.2.1]octan-3-amine
CID 62739307
N-[[1-[1-(4-methoxyphenyl)ethyl]piperidin-4-yl]methyl]ethanamine
CID 80550847
8-(3,3-dimethylbutan-2-yl)-N-ethyl-8-azabicyclo[3.2.1]octan-3-amine
CID 104830045
8-(1-ethoxypropan-2-yl)-N-ethyl-8-azabicyclo[3.2.1]octan-3-amine
CID 62740940
2-(cyclobutylamino)-1-(4-methoxyphenyl)ethanol
CID 62414370
2-[(4-ethylcyclohexyl)amino]-1-(4-methoxyphenyl)ethanol
CID 60760718
1-[1-[1-(4-methoxyphenyl)ethyl]piperidin-4-yl]-N-methylmethanamine
CID 63251056
2-[(3-ethylcyclohexyl)amino]-1-(4-methoxyphenyl)ethanol
CID 64743967

Frequently Asked Questions

What is the IUPAC name of N-ethyl-8-[1-(4-methoxyphenyl)ethyl]-8-azabicyclo[3.2.1]octan-3-amine?
The IUPAC name of N-ethyl-8-[1-(4-methoxyphenyl)ethyl]-8-azabicyclo[3.2.1]octan-3-amine (CID 66242436) is N-ethyl-8-[1-(4-methoxyphenyl)ethyl]-8-azabicyclo[3.2.1]octan-3-amine.
What is the SMILES notation for N-ethyl-8-[1-(4-methoxyphenyl)ethyl]-8-azabicyclo[3.2.1]octan-3-amine?
The canonical SMILES for N-ethyl-8-[1-(4-methoxyphenyl)ethyl]-8-azabicyclo[3.2.1]octan-3-amine is CCNC1CC2CCC(C1)N2C(C)c1ccc(OC)cc1.
What is the InChIKey of N-ethyl-8-[1-(4-methoxyphenyl)ethyl]-8-azabicyclo[3.2.1]octan-3-amine?
The InChIKey is UBXIPZHYDMAFDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O/c1-4-19-15-11-16-7-8-17(12-15)20(16)13(2)14-5-9-18(21-3)10-6-14/h5-6,9-10,13,15-17,19H,4,7-8,11-12H2,1-3H3.
What are the key properties of N-ethyl-8-[1-(4-methoxyphenyl)ethyl]-8-azabicyclo[3.2.1]octan-3-amine?
N-ethyl-8-[1-(4-methoxyphenyl)ethyl]-8-azabicyclo[3.2.1]octan-3-amine has a molecular weight of 288.44 g/mol, XLogP of 3.36, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-8-[1-(4-methoxyphenyl)ethyl]-8-azabicyclo[3.2.1]octan-3-amine is sourced from PubChem (CID 66242436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).