8-(3-ethylphenyl)-8-azabicyclo[3.2.1]octan-3-amine

C15H22N2 — CID 62740315

IUPAC8-(3-ethylphenyl)-8-azabicyclo[3.2.1]octan-3-amine
SMILESCCc1cccc(N2C3CCC2CC(N)C3)c1
InChIInChI=1S/C15H22N2/c1-2-11-4-3-5-13(8-11)17-14-6-7-15(17)10-12(16)9-14/h3-5,8,12,14-15H,2,6-7,9-10,16H2,1H3
InChIKeyROWFMVVYYHYFBB-UHFFFAOYSA-N
MW230.36 g/mol
LogP2.71
Rot. Bonds2

About 8-(3-ethylphenyl)-8-azabicyclo[3.2.1]octan-3-amine

8-(3-ethylphenyl)-8-azabicyclo[3.2.1]octan-3-amine (PubChem CID 62740315) has the molecular formula C15H22N2 and a molecular weight of 230.36 g/mol. Its IUPAC name is 8-(3-ethylphenyl)-8-azabicyclo[3.2.1]octan-3-amine.

Molecular Properties

Compound Name8-(3-ethylphenyl)-8-azabicyclo[3.2.1]octan-3-amine
PubChem CID62740315
Molecular FormulaC15H22N2
Molecular Weight230.36 g/mol
Exact Mass230.18
IUPAC Name8-(3-ethylphenyl)-8-azabicyclo[3.2.1]octan-3-amine
SMILESCCc1cccc(N2C3CCC2CC(N)C3)c1
InChIInChI=1S/C15H22N2/c1-2-11-4-3-5-13(8-11)17-14-6-7-15(17)10-12(16)9-14/h3-5,8,12,14-15H,2,6-7,9-10,16H2,1H3
InChIKeyROWFMVVYYHYFBB-UHFFFAOYSA-N
XLogP2.71
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.36
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8-(3-ethylphenyl)-8-azabicyclo[3.2.1]octan-3-amine?
The IUPAC name of 8-(3-ethylphenyl)-8-azabicyclo[3.2.1]octan-3-amine (CID 62740315) is 8-(3-ethylphenyl)-8-azabicyclo[3.2.1]octan-3-amine.
What is the SMILES notation for 8-(3-ethylphenyl)-8-azabicyclo[3.2.1]octan-3-amine?
The canonical SMILES for 8-(3-ethylphenyl)-8-azabicyclo[3.2.1]octan-3-amine is CCc1cccc(N2C3CCC2CC(N)C3)c1.
What is the InChIKey of 8-(3-ethylphenyl)-8-azabicyclo[3.2.1]octan-3-amine?
The InChIKey is ROWFMVVYYHYFBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2/c1-2-11-4-3-5-13(8-11)17-14-6-7-15(17)10-12(16)9-14/h3-5,8,12,14-15H,2,6-7,9-10,16H2,1H3.
What are the key properties of 8-(3-ethylphenyl)-8-azabicyclo[3.2.1]octan-3-amine?
8-(3-ethylphenyl)-8-azabicyclo[3.2.1]octan-3-amine has a molecular weight of 230.36 g/mol, XLogP of 2.71, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(3-ethylphenyl)-8-azabicyclo[3.2.1]octan-3-amine is sourced from PubChem (CID 62740315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).