1,8,8-trimethyl-3-(2-phenylethyl)-3-azabicyclo[3.2.1]octane;hydrochloride

C18H28ClN — CID 24833947

IUPAC1,8,8-trimethyl-3-(2-phenylethyl)-3-azabicyclo[3.2.1]octane;hydrochloride
SMILESCC12CCC(CN(CCc3ccccc3)C1)C2(C)C.Cl
InChIInChI=1S/C18H27N.ClH/c1-17(2)16-9-11-18(17,3)14-19(13-16)12-10-15-7-5-4-6-8-15;/h4-8,16H,9-14H2,1-3H3;1H
InChIKeyBJDANXGDVTWELE-UHFFFAOYSA-N
MW293.88 g/mol
LogP4.41
Rot. Bonds3

About 1,8,8-trimethyl-3-(2-phenylethyl)-3-azabicyclo[3.2.1]octane;hydrochloride

1,8,8-trimethyl-3-(2-phenylethyl)-3-azabicyclo[3.2.1]octane;hydrochloride (PubChem CID 24833947) has the molecular formula C18H28ClN and a molecular weight of 293.88 g/mol. Its IUPAC name is 1,8,8-trimethyl-3-(2-phenylethyl)-3-azabicyclo[3.2.1]octane;hydrochloride.

Molecular Properties

Compound Name1,8,8-trimethyl-3-(2-phenylethyl)-3-azabicyclo[3.2.1]octane;hydrochloride
PubChem CID24833947
Molecular FormulaC18H28ClN
Molecular Weight293.88 g/mol
Exact Mass293.19
IUPAC Name1,8,8-trimethyl-3-(2-phenylethyl)-3-azabicyclo[3.2.1]octane;hydrochloride
SMILESCC12CCC(CN(CCc3ccccc3)C1)C2(C)C.Cl
InChIInChI=1S/C18H27N.ClH/c1-17(2)16-9-11-18(17,3)14-19(13-16)12-10-15-7-5-4-6-8-15;/h4-8,16H,9-14H2,1-3H3;1H
InChIKeyBJDANXGDVTWELE-UHFFFAOYSA-N
XLogP4.41
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.88
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(3aS,6aR)-2-methyl-5-(2-phenylethyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole
CID 118534999
[6,6-dimethyl-4-(2-phenylethyl)morpholin-2-yl]methanol
CID 114779799
6,6-dimethyl-1-(2-phenylethyl)piperidin-3-amine
CID 117020993
carbanide;ethane;2-(2-phenylethyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;tungsten;yttrium
CID 159349372
(3aR,6aS)-3a-(methoxymethyl)-5-(2-phenylethyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole
CID 124797045
3,3,5-trimethyl-N-phenyl-1-(2-phenylethyl)piperidin-4-amine
CID 10805809
9-ethoxy-9-phenyl-3-(2-phenylethyl)-3-azabicyclo[3.3.1]nonane
CID 24833907
(4aR,10bR)-10b-methyl-3-(2-phenylethyl)-1,2,4,4a,5,6-hexahydrobenzo[f]isoquinolin-9-ol
CID 70510265
3,3-dimethyl-1-(2-phenylethyl)piperidine-4-carbonitrile
CID 117024510
2-cyclopropyl-2,5-dimethyl-1-(2-phenylethyl)piperazine
CID 64844387
5-(2-phenylethyl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
CID 60971520
5-(2-phenylethyl)-5-azaspiro[2.4]heptane
CID 142337171

Frequently Asked Questions

What is the IUPAC name of 1,8,8-trimethyl-3-(2-phenylethyl)-3-azabicyclo[3.2.1]octane;hydrochloride?
The IUPAC name of 1,8,8-trimethyl-3-(2-phenylethyl)-3-azabicyclo[3.2.1]octane;hydrochloride (CID 24833947) is 1,8,8-trimethyl-3-(2-phenylethyl)-3-azabicyclo[3.2.1]octane;hydrochloride.
What is the SMILES notation for 1,8,8-trimethyl-3-(2-phenylethyl)-3-azabicyclo[3.2.1]octane;hydrochloride?
The canonical SMILES for 1,8,8-trimethyl-3-(2-phenylethyl)-3-azabicyclo[3.2.1]octane;hydrochloride is CC12CCC(CN(CCc3ccccc3)C1)C2(C)C.Cl.
What is the InChIKey of 1,8,8-trimethyl-3-(2-phenylethyl)-3-azabicyclo[3.2.1]octane;hydrochloride?
The InChIKey is BJDANXGDVTWELE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N.ClH/c1-17(2)16-9-11-18(17,3)14-19(13-16)12-10-15-7-5-4-6-8-15;/h4-8,16H,9-14H2,1-3H3;1H.
What are the key properties of 1,8,8-trimethyl-3-(2-phenylethyl)-3-azabicyclo[3.2.1]octane;hydrochloride?
1,8,8-trimethyl-3-(2-phenylethyl)-3-azabicyclo[3.2.1]octane;hydrochloride has a molecular weight of 293.88 g/mol, XLogP of 4.41, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,8,8-trimethyl-3-(2-phenylethyl)-3-azabicyclo[3.2.1]octane;hydrochloride is sourced from PubChem (CID 24833947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).