1-(6,13-dimethoxy-2-tricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaenyl)-N-ethylpropan-2-amine

C22H29NO2 — CID 83985301

IUPAC1-(6,13-dimethoxy-2-tricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaenyl)-N-ethylpropan-2-amine
SMILESCCNC(C)CC1c2ccc(OC)cc2CCc2cc(OC)ccc21
InChIInChI=1S/C22H29NO2/c1-5-23-15(2)12-22-20-10-8-18(24-3)13-16(20)6-7-17-14-19(25-4)9-11-21(17)22/h8-11,13-15,22-23H,5-7,12H2,1-4H3
InChIKeyVKUSNSUQTFDWAB-UHFFFAOYSA-N
MW339.48 g/mol
LogP4.32
Rot. Bonds6

About 1-(6,13-dimethoxy-2-tricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaenyl)-N-ethylpropan-2-amine

1-(6,13-dimethoxy-2-tricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaenyl)-N-ethylpropan-2-amine (PubChem CID 83985301) has the molecular formula C22H29NO2 and a molecular weight of 339.48 g/mol. Its IUPAC name is 1-(6,13-dimethoxy-2-tricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaenyl)-N-ethylpropan-2-amine.

Molecular Properties

Compound Name1-(6,13-dimethoxy-2-tricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaenyl)-N-ethylpropan-2-amine
PubChem CID83985301
Molecular FormulaC22H29NO2
Molecular Weight339.48 g/mol
Exact Mass339.22
IUPAC Name1-(6,13-dimethoxy-2-tricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaenyl)-N-ethylpropan-2-amine
SMILESCCNC(C)CC1c2ccc(OC)cc2CCc2cc(OC)ccc21
InChIInChI=1S/C22H29NO2/c1-5-23-15(2)12-22-20-10-8-18(24-3)13-16(20)6-7-17-14-19(25-4)9-11-21(17)22/h8-11,13-15,22-23H,5-7,12H2,1-4H3
InChIKeyVKUSNSUQTFDWAB-UHFFFAOYSA-N
XLogP4.32
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.48
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(6,13-dimethoxy-2-tricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaenyl)-N-ethylpropan-2-amine with MolForge

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Related Compounds

1-(6-methoxy-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaenyl)-N-methylpropan-2-amine
CID 83985344
3-(6,13-dimethoxy-2-tricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaenyl)-2-methylpropan-1-ol
CID 83985293
2-(6,13-dimethoxy-2-tricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaenyl)-N-ethylethanamine
CID 83985302
N-butan-2-yl-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine
CID 43190307
1-(5,6-difluoro-13-methoxy-2-tricyclo[9.4.0.03,8]pentadeca-1(11),3,5,7,12,14-hexaenyl)butan-2-amine
CID 83985225
N-ethyl-1-(6-methoxy-2,3-dihydro-1H-inden-1-yl)ethanamine
CID 79368208
N-ethyl-6-methoxy-2-(3-methylbutan-2-ylsulfanyl)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 107763324
[1-(ethylamino)-6-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl]methanol
CID 64812391
N-(1-ethylsulfanylpropan-2-yl)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine
CID 115725728
N-ethyl-1-(6-methoxy-2,3-dihydro-1H-inden-1-yl)propan-1-amine
CID 79368390
N-ethyl-6-methoxy-2-propylsulfanyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 64614896
methyl 2-(5-methoxy-2,3-dihydro-1H-inden-1-yl)butanoate
CID 23529443

Frequently Asked Questions

What is the IUPAC name of 1-(6,13-dimethoxy-2-tricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaenyl)-N-ethylpropan-2-amine?
The IUPAC name of 1-(6,13-dimethoxy-2-tricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaenyl)-N-ethylpropan-2-amine (CID 83985301) is 1-(6,13-dimethoxy-2-tricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaenyl)-N-ethylpropan-2-amine.
What is the SMILES notation for 1-(6,13-dimethoxy-2-tricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaenyl)-N-ethylpropan-2-amine?
The canonical SMILES for 1-(6,13-dimethoxy-2-tricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaenyl)-N-ethylpropan-2-amine is CCNC(C)CC1c2ccc(OC)cc2CCc2cc(OC)ccc21.
What is the InChIKey of 1-(6,13-dimethoxy-2-tricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaenyl)-N-ethylpropan-2-amine?
The InChIKey is VKUSNSUQTFDWAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29NO2/c1-5-23-15(2)12-22-20-10-8-18(24-3)13-16(20)6-7-17-14-19(25-4)9-11-21(17)22/h8-11,13-15,22-23H,5-7,12H2,1-4H3.
What are the key properties of 1-(6,13-dimethoxy-2-tricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaenyl)-N-ethylpropan-2-amine?
1-(6,13-dimethoxy-2-tricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaenyl)-N-ethylpropan-2-amine has a molecular weight of 339.48 g/mol, XLogP of 4.32, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6,13-dimethoxy-2-tricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaenyl)-N-ethylpropan-2-amine is sourced from PubChem (CID 83985301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).