methyl 9-(2-aminoethyl)-7-ethyl-9H-fluorene-2-carboxylate

C19H21NO2 — CID 82579164

IUPACmethyl 9-(2-aminoethyl)-7-ethyl-9H-fluorene-2-carboxylate
SMILESCCc1ccc2c(c1)C(CCN)c1cc(C(=O)OC)ccc1-2
InChIInChI=1S/C19H21NO2/c1-3-12-4-6-14-15-7-5-13(19(21)22-2)11-18(15)16(8-9-20)17(14)10-12/h4-7,10-11,16H,3,8-9,20H2,1-2H3
InChIKeyGQTBDGBEHRSUJC-UHFFFAOYSA-N
MW295.38 g/mol
LogP3.50
Rot. Bonds4

About methyl 9-(2-aminoethyl)-7-ethyl-9H-fluorene-2-carboxylate

methyl 9-(2-aminoethyl)-7-ethyl-9H-fluorene-2-carboxylate (PubChem CID 82579164) has the molecular formula C19H21NO2 and a molecular weight of 295.38 g/mol. Its IUPAC name is methyl 9-(2-aminoethyl)-7-ethyl-9H-fluorene-2-carboxylate.

Molecular Properties

Compound Namemethyl 9-(2-aminoethyl)-7-ethyl-9H-fluorene-2-carboxylate
PubChem CID82579164
Molecular FormulaC19H21NO2
Molecular Weight295.38 g/mol
Exact Mass295.16
IUPAC Namemethyl 9-(2-aminoethyl)-7-ethyl-9H-fluorene-2-carboxylate
SMILESCCc1ccc2c(c1)C(CCN)c1cc(C(=O)OC)ccc1-2
InChIInChI=1S/C19H21NO2/c1-3-12-4-6-14-15-7-5-13(19(21)22-2)11-18(15)16(8-9-20)17(14)10-12/h4-7,10-11,16H,3,8-9,20H2,1-2H3
InChIKeyGQTBDGBEHRSUJC-UHFFFAOYSA-N
XLogP3.50
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.38
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze methyl 9-(2-aminoethyl)-7-ethyl-9H-fluorene-2-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

dimethyl 9,10-dihydroxy-9,10-dihydrophenanthrene-2,7-dicarboxylate
CID 138453798
trimethyl pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15(20),16,18-nonaene-4,11,17-tricarboxylate
CID 126722610
2-(2-ethyl-7-hydroxy-9H-fluoren-9-yl)acetic acid
CID 82578973
methyl 4-[4-(2,7-ditert-butyl-9H-fluoren-9-yl)butoxy]benzoate
CID 10413065
methyl 4-(aminomethyl)benzoate;molecular hydrogen
CID 143345470
methyl 4-[(6S,6aS,10aR)-2-ethyl-5,6,6a,7,8,9,10,10a-octahydrophenanthridin-6-yl]-3-fluorobenzoate
CID 154081186
methyl 4-(3-aminopropanoylamino)-3-methylbenzoate
CID 43712706
methyl 3-(2-aminoethyl)benzoate
CID 10511548
methyl 2-butyl-1-oxo-3-propyl-3H-isoindole-5-carboxylate
CID 10565361
methyl 3-iodo-4-(2-iodo-4-methoxycarbonylphenyl)benzoate
CID 11375867
methyl 4-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]benzoate
CID 24720878
methyl 4-[(chloroamino)oxymethyl]benzoate
CID 88567653

Frequently Asked Questions

What is the IUPAC name of methyl 9-(2-aminoethyl)-7-ethyl-9H-fluorene-2-carboxylate?
The IUPAC name of methyl 9-(2-aminoethyl)-7-ethyl-9H-fluorene-2-carboxylate (CID 82579164) is methyl 9-(2-aminoethyl)-7-ethyl-9H-fluorene-2-carboxylate.
What is the SMILES notation for methyl 9-(2-aminoethyl)-7-ethyl-9H-fluorene-2-carboxylate?
The canonical SMILES for methyl 9-(2-aminoethyl)-7-ethyl-9H-fluorene-2-carboxylate is CCc1ccc2c(c1)C(CCN)c1cc(C(=O)OC)ccc1-2.
What is the InChIKey of methyl 9-(2-aminoethyl)-7-ethyl-9H-fluorene-2-carboxylate?
The InChIKey is GQTBDGBEHRSUJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO2/c1-3-12-4-6-14-15-7-5-13(19(21)22-2)11-18(15)16(8-9-20)17(14)10-12/h4-7,10-11,16H,3,8-9,20H2,1-2H3.
What are the key properties of methyl 9-(2-aminoethyl)-7-ethyl-9H-fluorene-2-carboxylate?
methyl 9-(2-aminoethyl)-7-ethyl-9H-fluorene-2-carboxylate has a molecular weight of 295.38 g/mol, XLogP of 3.50, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 9-(2-aminoethyl)-7-ethyl-9H-fluorene-2-carboxylate is sourced from PubChem (CID 82579164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).