(1R,6R,7R)-10-ethoxy-N,N-dimethyl-8-phenyltricyclo[5.2.2.01,6]undeca-8,10-dien-7-amine

C21H27NO — CID 10892258

IUPAC(1R,6R,7R)-10-ethoxy-N,N-dimethyl-8-phenyltricyclo[5.2.2.01,6]undeca-8,10-dien-7-amine
SMILESCCOC1=C[C@@]2(N(C)C)C(c3ccccc3)=C[C@@]13CCCC[C@H]32
InChIInChI=1S/C21H27NO/c1-4-23-19-15-21(22(2)3)17(16-10-6-5-7-11-16)14-20(19)13-9-8-12-18(20)21/h5-7,10-11,14-15,18H,4,8-9,12-13H2,1-3H3/t18-,20-,21-/m1/s1
InChIKeyFLDDZEGEEJUABF-HMXCVIKNSA-N
MW309.45 g/mol
LogP4.49
Rot. Bonds4

About (1R,6R,7R)-10-ethoxy-N,N-dimethyl-8-phenyltricyclo[5.2.2.01,6]undeca-8,10-dien-7-amine

(1R,6R,7R)-10-ethoxy-N,N-dimethyl-8-phenyltricyclo[5.2.2.01,6]undeca-8,10-dien-7-amine (PubChem CID 10892258) has the molecular formula C21H27NO and a molecular weight of 309.45 g/mol. Its IUPAC name is (1R,6R,7R)-10-ethoxy-N,N-dimethyl-8-phenyltricyclo[5.2.2.01,6]undeca-8,10-dien-7-amine.

Molecular Properties

Compound Name(1R,6R,7R)-10-ethoxy-N,N-dimethyl-8-phenyltricyclo[5.2.2.01,6]undeca-8,10-dien-7-amine
PubChem CID10892258
Molecular FormulaC21H27NO
Molecular Weight309.45 g/mol
Exact Mass309.21
IUPAC Name(1R,6R,7R)-10-ethoxy-N,N-dimethyl-8-phenyltricyclo[5.2.2.01,6]undeca-8,10-dien-7-amine
SMILESCCOC1=C[C@@]2(N(C)C)C(c3ccccc3)=C[C@@]13CCCC[C@H]32
InChIInChI=1S/C21H27NO/c1-4-23-19-15-21(22(2)3)17(16-10-6-5-7-11-16)14-20(19)13-9-8-12-18(20)21/h5-7,10-11,14-15,18H,4,8-9,12-13H2,1-3H3/t18-,20-,21-/m1/s1
InChIKeyFLDDZEGEEJUABF-HMXCVIKNSA-N
XLogP4.49
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.45
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(3aR)-3-ethoxy-N,N-diethyl-1-phenyl-4,5,6,7-tetrahydroinden-3a-amine
CID 639190
3-ethoxy-N,N-dimethyl-1-phenyl-4,5,6,7-tetrahydroinden-3a-amine
CID 101007900
4-ethoxy-N,N-dimethyl-2,3-diphenyl-1-propylcyclopenta-2,4-dien-1-amine
CID 10936952
(1R,6R,7R)-10-ethoxy-N,N-dimethyl-8-[4-(trifluoromethyl)phenyl]tricyclo[5.2.2.01,6]undeca-8,10-dien-7-amine
CID 11164803
(1R,6R,7R)-10-ethoxy-N,N-dimethyl-8-[3-(trifluoromethyl)phenyl]tricyclo[5.2.2.01,6]undeca-8,10-dien-7-amine
CID 11164804
(1R,6R,7R)-10-ethoxy-N,N-dimethyl-8-[2-(trifluoromethyl)phenyl]tricyclo[5.2.2.01,6]undeca-8,10-dien-7-amine
CID 11360917
(1S,6S,7S)-10-ethoxy-N,N-dimethyl-8-[4-(trifluoromethyl)phenyl]tricyclo[5.2.2.01,6]undeca-8,10-dien-7-amine
CID 23230492
(1S,6S,7S)-10-ethoxy-N,N-dimethyl-8-[3-(trifluoromethyl)phenyl]tricyclo[5.2.2.01,6]undeca-8,10-dien-7-amine
CID 23230493
(1S,6S,7S)-10-ethoxy-N,N-dimethyl-8-[2-(trifluoromethyl)phenyl]tricyclo[5.2.2.01,6]undeca-8,10-dien-7-amine
CID 23232086
3-ethoxy-N,N-diethyl-1-phenyl-4,5,6,7-tetrahydroinden-3a-amine
CID 10757442
(2S)-1-[(1R,6S,7R,8S)-10,11-diethoxy-8-phenyl-7-tricyclo[5.3.2.01,6]dodeca-9,11-dienyl]-2-(methoxymethyl)pyrrolidine
CID 102024016
N,2-dimethyl-N-[2-[1-methyl-3-[6-[(2-methylpropan-2-yl)oxy]hexyl]inden-1-yl]propan-2-yl]propan-2-amine;ethane
CID 144971941

Frequently Asked Questions

What is the IUPAC name of (1R,6R,7R)-10-ethoxy-N,N-dimethyl-8-phenyltricyclo[5.2.2.01,6]undeca-8,10-dien-7-amine?
The IUPAC name of (1R,6R,7R)-10-ethoxy-N,N-dimethyl-8-phenyltricyclo[5.2.2.01,6]undeca-8,10-dien-7-amine (CID 10892258) is (1R,6R,7R)-10-ethoxy-N,N-dimethyl-8-phenyltricyclo[5.2.2.01,6]undeca-8,10-dien-7-amine.
What is the SMILES notation for (1R,6R,7R)-10-ethoxy-N,N-dimethyl-8-phenyltricyclo[5.2.2.01,6]undeca-8,10-dien-7-amine?
The canonical SMILES for (1R,6R,7R)-10-ethoxy-N,N-dimethyl-8-phenyltricyclo[5.2.2.01,6]undeca-8,10-dien-7-amine is CCOC1=C[C@@]2(N(C)C)C(c3ccccc3)=C[C@@]13CCCC[C@H]32.
What is the InChIKey of (1R,6R,7R)-10-ethoxy-N,N-dimethyl-8-phenyltricyclo[5.2.2.01,6]undeca-8,10-dien-7-amine?
The InChIKey is FLDDZEGEEJUABF-HMXCVIKNSA-N. The full InChI is InChI=1S/C21H27NO/c1-4-23-19-15-21(22(2)3)17(16-10-6-5-7-11-16)14-20(19)13-9-8-12-18(20)21/h5-7,10-11,14-15,18H,4,8-9,12-13H2,1-3H3/t18-,20-,21-/m1/s1.
What are the key properties of (1R,6R,7R)-10-ethoxy-N,N-dimethyl-8-phenyltricyclo[5.2.2.01,6]undeca-8,10-dien-7-amine?
(1R,6R,7R)-10-ethoxy-N,N-dimethyl-8-phenyltricyclo[5.2.2.01,6]undeca-8,10-dien-7-amine has a molecular weight of 309.45 g/mol, XLogP of 4.49, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,6R,7R)-10-ethoxy-N,N-dimethyl-8-phenyltricyclo[5.2.2.01,6]undeca-8,10-dien-7-amine is sourced from PubChem (CID 10892258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).