[6-(aminomethyl)-1-benzyl-5-fluoro-2,3-dihydro-1H-inden-2-yl]-ethylcarbamic acid

C20H23FN2O2 — CID 66740883

IUPAC[6-(aminomethyl)-1-benzyl-5-fluoro-2,3-dihydro-1H-inden-2-yl]-ethylcarbamic acid
SMILESCCN(C(=O)O)C1Cc2cc(F)c(CN)cc2C1Cc1ccccc1
InChIInChI=1S/C20H23FN2O2/c1-2-23(20(24)25)19-11-14-10-18(21)15(12-22)9-16(14)17(19)8-13-6-4-3-5-7-13/h3-7,9-10,17,19H,2,8,11-12,22H2,1H3,(H,24,25)
InChIKeyFQWYZTVVJWYARQ-UHFFFAOYSA-N
MW342.41 g/mol
LogP3.54
Rot. Bonds5

About [6-(aminomethyl)-1-benzyl-5-fluoro-2,3-dihydro-1H-inden-2-yl]-ethylcarbamic acid

[6-(aminomethyl)-1-benzyl-5-fluoro-2,3-dihydro-1H-inden-2-yl]-ethylcarbamic acid (PubChem CID 66740883) has the molecular formula C20H23FN2O2 and a molecular weight of 342.41 g/mol. Its IUPAC name is [6-(aminomethyl)-1-benzyl-5-fluoro-2,3-dihydro-1H-inden-2-yl]-ethylcarbamic acid.

Molecular Properties

Compound Name[6-(aminomethyl)-1-benzyl-5-fluoro-2,3-dihydro-1H-inden-2-yl]-ethylcarbamic acid
PubChem CID66740883
Molecular FormulaC20H23FN2O2
Molecular Weight342.41 g/mol
Exact Mass342.17
IUPAC Name[6-(aminomethyl)-1-benzyl-5-fluoro-2,3-dihydro-1H-inden-2-yl]-ethylcarbamic acid
SMILESCCN(C(=O)O)C1Cc2cc(F)c(CN)cc2C1Cc1ccccc1
InChIInChI=1S/C20H23FN2O2/c1-2-23(20(24)25)19-11-14-10-18(21)15(12-22)9-16(14)17(19)8-13-6-4-3-5-7-13/h3-7,9-10,17,19H,2,8,11-12,22H2,1H3,(H,24,25)
InChIKeyFQWYZTVVJWYARQ-UHFFFAOYSA-N
XLogP3.54
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.41
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [6-(aminomethyl)-1-benzyl-5-fluoro-2,3-dihydro-1H-inden-2-yl]-ethylcarbamic acid?
The IUPAC name of [6-(aminomethyl)-1-benzyl-5-fluoro-2,3-dihydro-1H-inden-2-yl]-ethylcarbamic acid (CID 66740883) is [6-(aminomethyl)-1-benzyl-5-fluoro-2,3-dihydro-1H-inden-2-yl]-ethylcarbamic acid.
What is the SMILES notation for [6-(aminomethyl)-1-benzyl-5-fluoro-2,3-dihydro-1H-inden-2-yl]-ethylcarbamic acid?
The canonical SMILES for [6-(aminomethyl)-1-benzyl-5-fluoro-2,3-dihydro-1H-inden-2-yl]-ethylcarbamic acid is CCN(C(=O)O)C1Cc2cc(F)c(CN)cc2C1Cc1ccccc1.
What is the InChIKey of [6-(aminomethyl)-1-benzyl-5-fluoro-2,3-dihydro-1H-inden-2-yl]-ethylcarbamic acid?
The InChIKey is FQWYZTVVJWYARQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN2O2/c1-2-23(20(24)25)19-11-14-10-18(21)15(12-22)9-16(14)17(19)8-13-6-4-3-5-7-13/h3-7,9-10,17,19H,2,8,11-12,22H2,1H3,(H,24,25).
What are the key properties of [6-(aminomethyl)-1-benzyl-5-fluoro-2,3-dihydro-1H-inden-2-yl]-ethylcarbamic acid?
[6-(aminomethyl)-1-benzyl-5-fluoro-2,3-dihydro-1H-inden-2-yl]-ethylcarbamic acid has a molecular weight of 342.41 g/mol, XLogP of 3.54, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(aminomethyl)-1-benzyl-5-fluoro-2,3-dihydro-1H-inden-2-yl]-ethylcarbamic acid is sourced from PubChem (CID 66740883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).