(1R,6R,7R)-10-ethoxy-N,N-dimethyl-8-[3-(trifluoromethyl)phenyl]tricyclo[5.2.2.01,6]undeca-8,10-dien-7-amine

C22H26F3NO — CID 11164804

IUPAC(1R,6R,7R)-10-ethoxy-N,N-dimethyl-8-[3-(trifluoromethyl)phenyl]tricyclo[5.2.2.01,6]undeca-8,10-dien-7-amine
SMILESCCOC1=C[C@@]2(N(C)C)C(c3cccc(C(F)(F)F)c3)=C[C@@]13CCCC[C@H]32
InChIInChI=1S/C22H26F3NO/c1-4-27-19-14-21(26(2)3)17(13-20(19)11-6-5-10-18(20)21)15-8-7-9-16(12-15)22(23,24)25/h7-9,12-14,18H,4-6,10-11H2,1-3H3/t18-,20-,21-/m1/s1
InChIKeySAKWLFHMTGQNCM-HMXCVIKNSA-N
MW377.45 g/mol
LogP5.51
Rot. Bonds4

About (1R,6R,7R)-10-ethoxy-N,N-dimethyl-8-[3-(trifluoromethyl)phenyl]tricyclo[5.2.2.01,6]undeca-8,10-dien-7-amine

(1R,6R,7R)-10-ethoxy-N,N-dimethyl-8-[3-(trifluoromethyl)phenyl]tricyclo[5.2.2.01,6]undeca-8,10-dien-7-amine (PubChem CID 11164804) has the molecular formula C22H26F3NO and a molecular weight of 377.45 g/mol. Its IUPAC name is (1R,6R,7R)-10-ethoxy-N,N-dimethyl-8-[3-(trifluoromethyl)phenyl]tricyclo[5.2.2.01,6]undeca-8,10-dien-7-amine.

Molecular Properties

Compound Name(1R,6R,7R)-10-ethoxy-N,N-dimethyl-8-[3-(trifluoromethyl)phenyl]tricyclo[5.2.2.01,6]undeca-8,10-dien-7-amine
PubChem CID11164804
Molecular FormulaC22H26F3NO
Molecular Weight377.45 g/mol
Exact Mass377.20
IUPAC Name(1R,6R,7R)-10-ethoxy-N,N-dimethyl-8-[3-(trifluoromethyl)phenyl]tricyclo[5.2.2.01,6]undeca-8,10-dien-7-amine
SMILESCCOC1=C[C@@]2(N(C)C)C(c3cccc(C(F)(F)F)c3)=C[C@@]13CCCC[C@H]32
InChIInChI=1S/C22H26F3NO/c1-4-27-19-14-21(26(2)3)17(13-20(19)11-6-5-10-18(20)21)15-8-7-9-16(12-15)22(23,24)25/h7-9,12-14,18H,4-6,10-11H2,1-3H3/t18-,20-,21-/m1/s1
InChIKeySAKWLFHMTGQNCM-HMXCVIKNSA-N
XLogP5.51
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.45
LogP ≤ 55.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(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-[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
(1R,6R,7R)-10-ethoxy-N,N-dimethyl-8-[4-(4-propylphenyl)phenyl]tricyclo[5.2.2.01,6]undeca-8,10-dien-7-amine
CID 10862871
(1R,6R,7R)-10-ethoxy-N,N-dimethyl-8-phenyltricyclo[5.2.2.01,6]undeca-8,10-dien-7-amine
CID 10892258
(1S,6R,7R)-10-ethoxy-N,N-dimethyl-9-phenyl-8-[(E)-4-phenylbut-1-en-3-ynyl]tricyclo[5.2.2.01,6]undeca-8,10-dien-7-amine
CID 10895388
(1R,6R,7R)-10-ethoxy-N,N-dimethyl-8-(2-phenylethynyl)tricyclo[5.2.2.01,6]undeca-8,10-dien-7-amine
CID 11034984
(1R,6R,7R)-10-ethoxy-N,N-dimethyl-8-(4-propylphenyl)tricyclo[5.2.2.01,6]undeca-8,10-dien-7-amine
CID 11089466
(1R,6R,7R,11R)-9-ethoxy-N,N-dimethyl-11-(3-methylphenyl)tricyclo[5.2.2.01,6]undec-8-en-7-amine
CID 11244264
(1R,6S,7R,8S)-10,11-diethoxy-N,N-dimethyl-8-phenyltricyclo[5.3.2.01,6]dodeca-9,11-dien-7-amine
CID 11268638

Frequently Asked Questions

What is the IUPAC name of (1R,6R,7R)-10-ethoxy-N,N-dimethyl-8-[3-(trifluoromethyl)phenyl]tricyclo[5.2.2.01,6]undeca-8,10-dien-7-amine?
The IUPAC name of (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) is (1R,6R,7R)-10-ethoxy-N,N-dimethyl-8-[3-(trifluoromethyl)phenyl]tricyclo[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-[3-(trifluoromethyl)phenyl]tricyclo[5.2.2.01,6]undeca-8,10-dien-7-amine?
The canonical SMILES for (1R,6R,7R)-10-ethoxy-N,N-dimethyl-8-[3-(trifluoromethyl)phenyl]tricyclo[5.2.2.01,6]undeca-8,10-dien-7-amine is CCOC1=C[C@@]2(N(C)C)C(c3cccc(C(F)(F)F)c3)=C[C@@]13CCCC[C@H]32.
What is the InChIKey of (1R,6R,7R)-10-ethoxy-N,N-dimethyl-8-[3-(trifluoromethyl)phenyl]tricyclo[5.2.2.01,6]undeca-8,10-dien-7-amine?
The InChIKey is SAKWLFHMTGQNCM-HMXCVIKNSA-N. The full InChI is InChI=1S/C22H26F3NO/c1-4-27-19-14-21(26(2)3)17(13-20(19)11-6-5-10-18(20)21)15-8-7-9-16(12-15)22(23,24)25/h7-9,12-14,18H,4-6,10-11H2,1-3H3/t18-,20-,21-/m1/s1.
What are the key properties of (1R,6R,7R)-10-ethoxy-N,N-dimethyl-8-[3-(trifluoromethyl)phenyl]tricyclo[5.2.2.01,6]undeca-8,10-dien-7-amine?
(1R,6R,7R)-10-ethoxy-N,N-dimethyl-8-[3-(trifluoromethyl)phenyl]tricyclo[5.2.2.01,6]undeca-8,10-dien-7-amine has a molecular weight of 377.45 g/mol, XLogP of 5.51, 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-[3-(trifluoromethyl)phenyl]tricyclo[5.2.2.01,6]undeca-8,10-dien-7-amine is sourced from PubChem (CID 11164804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).