2-(ethylamino)-2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)acetic acid

C19H21NO2 — CID 83985105

IUPAC2-(ethylamino)-2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)acetic acid
SMILESCCNC(C(=O)O)C1c2ccccc2CCc2ccccc21
InChIInChI=1S/C19H21NO2/c1-2-20-18(19(21)22)17-15-9-5-3-7-13(15)11-12-14-8-4-6-10-16(14)17/h3-10,17-18,20H,2,11-12H2,1H3,(H,21,22)
InChIKeyWSVXSXJHFCETPY-UHFFFAOYSA-N
MW295.38 g/mol
LogP2.98
Rot. Bonds4

About 2-(ethylamino)-2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)acetic acid

2-(ethylamino)-2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)acetic acid (PubChem CID 83985105) has the molecular formula C19H21NO2 and a molecular weight of 295.38 g/mol. Its IUPAC name is 2-(ethylamino)-2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)acetic acid.

Molecular Properties

Compound Name2-(ethylamino)-2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)acetic acid
PubChem CID83985105
Molecular FormulaC19H21NO2
Molecular Weight295.38 g/mol
Exact Mass295.16
IUPAC Name2-(ethylamino)-2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)acetic acid
SMILESCCNC(C(=O)O)C1c2ccccc2CCc2ccccc21
InChIInChI=1S/C19H21NO2/c1-2-20-18(19(21)22)17-15-9-5-3-7-13(15)11-12-14-8-4-6-10-16(14)17/h3-10,17-18,20H,2,11-12H2,1H3,(H,21,22)
InChIKeyWSVXSXJHFCETPY-UHFFFAOYSA-N
XLogP2.98
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.38
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-(ethylamino)-2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)acetic acid with MolForge

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Related Compounds

2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)acetic acid
CID 19385930
ethyl 2-amino-2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)acetate;hydrochloride
CID 19385933
1-(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl)-N-ethyl-2-methylprop-2-en-1-amine
CID 105005648
1-(3,4-dihydro-1H-isochromen-1-yl)-N-ethylethanamine
CID 12536020
tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene-2-carboxylic acid
CID 12515647
N-ethyl-2-methyl-1-(1,2,3,4-tetrahydronaphthalen-1-yl)propan-1-amine
CID 55175096
N-[cyclopentyl(3,4-dihydro-1H-isochromen-1-yl)methyl]ethanamine
CID 105080766
2-propan-2-yltricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaene-7-carboxylic acid
CID 70369501
3-(2,3-dihydro-1H-inden-1-ylamino)-2-methylpropanoic acid
CID 43652106
methyl tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene-2-carboxylate
CID 83985069
N-prop-2-ynyltricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene-2-carboxamide
CID 125494989
(2S)-2-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethylamino)propanoic acid
CID 83194092

Frequently Asked Questions

What is the IUPAC name of 2-(ethylamino)-2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)acetic acid?
The IUPAC name of 2-(ethylamino)-2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)acetic acid (CID 83985105) is 2-(ethylamino)-2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)acetic acid.
What is the SMILES notation for 2-(ethylamino)-2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)acetic acid?
The canonical SMILES for 2-(ethylamino)-2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)acetic acid is CCNC(C(=O)O)C1c2ccccc2CCc2ccccc21.
What is the InChIKey of 2-(ethylamino)-2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)acetic acid?
The InChIKey is WSVXSXJHFCETPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO2/c1-2-20-18(19(21)22)17-15-9-5-3-7-13(15)11-12-14-8-4-6-10-16(14)17/h3-10,17-18,20H,2,11-12H2,1H3,(H,21,22).
What are the key properties of 2-(ethylamino)-2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)acetic acid?
2-(ethylamino)-2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)acetic acid has a molecular weight of 295.38 g/mol, XLogP of 2.98, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylamino)-2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)acetic acid is sourced from PubChem (CID 83985105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).