2-(2-methylpropylamino)ethyl 9H-fluorene-9-carboxylate

C20H23NO2 — CID 23621651

IUPAC2-(2-methylpropylamino)ethyl 9H-fluorene-9-carboxylate
SMILESCC(C)CNCCOC(=O)C1c2ccccc2-c2ccccc21
InChIInChI=1S/C20H23NO2/c1-14(2)13-21-11-12-23-20(22)19-17-9-5-3-7-15(17)16-8-4-6-10-18(16)19/h3-10,14,19,21H,11-13H2,1-2H3
InChIKeyAIIYBRGQGKIHFC-UHFFFAOYSA-N
MW309.41 g/mol
LogP3.59
Rot. Bonds6

About 2-(2-methylpropylamino)ethyl 9H-fluorene-9-carboxylate

2-(2-methylpropylamino)ethyl 9H-fluorene-9-carboxylate (PubChem CID 23621651) has the molecular formula C20H23NO2 and a molecular weight of 309.41 g/mol. Its IUPAC name is 2-(2-methylpropylamino)ethyl 9H-fluorene-9-carboxylate.

Molecular Properties

Compound Name2-(2-methylpropylamino)ethyl 9H-fluorene-9-carboxylate
PubChem CID23621651
Molecular FormulaC20H23NO2
Molecular Weight309.41 g/mol
Exact Mass309.17
IUPAC Name2-(2-methylpropylamino)ethyl 9H-fluorene-9-carboxylate
SMILESCC(C)CNCCOC(=O)C1c2ccccc2-c2ccccc21
InChIInChI=1S/C20H23NO2/c1-14(2)13-21-11-12-23-20(22)19-17-9-5-3-7-15(17)16-8-4-6-10-18(16)19/h3-10,14,19,21H,11-13H2,1-2H3
InChIKeyAIIYBRGQGKIHFC-UHFFFAOYSA-N
XLogP3.59
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(9H-fluorene-9-carbonyloxy)ethanesulfonic acid
CID 121308516
2-(diethylamino)ethyl 9H-fluorene-9-carboxylate;hydrochloride
CID 11058
2-hydroxyethyl 9H-fluorene-9-carboxylate;2-methylprop-2-enoic acid
CID 70268777
2-(2-methylpropylamino)ethyl 3-aminobenzoate
CID 11115
2-(2-methylpropylamino)ethyl 2-methylpropanoate
CID 137470797
3-(dibutylamino)propyl 9H-fluorene-9-carboxylate;hydrochloride
CID 138400608
2-methyl-N-[2-(2-phenylphenoxy)ethyl]propan-1-amine
CID 62449849
9H-fluoren-9-ylmethyl N-(2-methylpropylamino)carbamate
CID 71291392
2-[[2-(9H-fluoren-9-yl)acetyl]amino]ethyl benzoate
CID 23170808
3-(9H-fluoren-9-yl)-3-oxopropanoic acid
CID 13146062
triphenylstannyl 9H-fluorene-9-carboxylate
CID 71445890
2-[di(propan-2-yl)amino]ethyl 9H-xanthene-9-carboxylate;hydrochloride
CID 169438672

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylpropylamino)ethyl 9H-fluorene-9-carboxylate?
The IUPAC name of 2-(2-methylpropylamino)ethyl 9H-fluorene-9-carboxylate (CID 23621651) is 2-(2-methylpropylamino)ethyl 9H-fluorene-9-carboxylate.
What is the SMILES notation for 2-(2-methylpropylamino)ethyl 9H-fluorene-9-carboxylate?
The canonical SMILES for 2-(2-methylpropylamino)ethyl 9H-fluorene-9-carboxylate is CC(C)CNCCOC(=O)C1c2ccccc2-c2ccccc21.
What is the InChIKey of 2-(2-methylpropylamino)ethyl 9H-fluorene-9-carboxylate?
The InChIKey is AIIYBRGQGKIHFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO2/c1-14(2)13-21-11-12-23-20(22)19-17-9-5-3-7-15(17)16-8-4-6-10-18(16)19/h3-10,14,19,21H,11-13H2,1-2H3.
What are the key properties of 2-(2-methylpropylamino)ethyl 9H-fluorene-9-carboxylate?
2-(2-methylpropylamino)ethyl 9H-fluorene-9-carboxylate has a molecular weight of 309.41 g/mol, XLogP of 3.59, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylpropylamino)ethyl 9H-fluorene-9-carboxylate is sourced from PubChem (CID 23621651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).