2-N-cyclopropyl-1-N-(4-fluoro-2,3-dihydro-1H-inden-1-yl)-2-N-methylpropane-1,2-diamine

C16H23FN2 — CID 103781629

IUPAC2-N-cyclopropyl-1-N-(4-fluoro-2,3-dihydro-1H-inden-1-yl)-2-N-methylpropane-1,2-diamine
SMILESCC(CNC1CCc2c(F)cccc21)N(C)C1CC1
InChIInChI=1S/C16H23FN2/c1-11(19(2)12-6-7-12)10-18-16-9-8-13-14(16)4-3-5-15(13)17/h3-5,11-12,16,18H,6-10H2,1-2H3
InChIKeyUFMNEOYDBBDBLD-UHFFFAOYSA-N
MW262.37 g/mol
LogP2.89
Rot. Bonds5

About 2-N-cyclopropyl-1-N-(4-fluoro-2,3-dihydro-1H-inden-1-yl)-2-N-methylpropane-1,2-diamine

2-N-cyclopropyl-1-N-(4-fluoro-2,3-dihydro-1H-inden-1-yl)-2-N-methylpropane-1,2-diamine (PubChem CID 103781629) has the molecular formula C16H23FN2 and a molecular weight of 262.37 g/mol. Its IUPAC name is 2-N-cyclopropyl-1-N-(4-fluoro-2,3-dihydro-1H-inden-1-yl)-2-N-methylpropane-1,2-diamine.

Molecular Properties

Compound Name2-N-cyclopropyl-1-N-(4-fluoro-2,3-dihydro-1H-inden-1-yl)-2-N-methylpropane-1,2-diamine
PubChem CID103781629
Molecular FormulaC16H23FN2
Molecular Weight262.37 g/mol
Exact Mass262.18
IUPAC Name2-N-cyclopropyl-1-N-(4-fluoro-2,3-dihydro-1H-inden-1-yl)-2-N-methylpropane-1,2-diamine
SMILESCC(CNC1CCc2c(F)cccc21)N(C)C1CC1
InChIInChI=1S/C16H23FN2/c1-11(19(2)12-6-7-12)10-18-16-9-8-13-14(16)4-3-5-15(13)17/h3-5,11-12,16,18H,6-10H2,1-2H3
InChIKeyUFMNEOYDBBDBLD-UHFFFAOYSA-N
XLogP2.89
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.37
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-N-cyclopropyl-1-N-(4-fluoro-2,3-dihydro-1H-inden-1-yl)-2-N-methylpropane-1,2-diamine?
The IUPAC name of 2-N-cyclopropyl-1-N-(4-fluoro-2,3-dihydro-1H-inden-1-yl)-2-N-methylpropane-1,2-diamine (CID 103781629) is 2-N-cyclopropyl-1-N-(4-fluoro-2,3-dihydro-1H-inden-1-yl)-2-N-methylpropane-1,2-diamine.
What is the SMILES notation for 2-N-cyclopropyl-1-N-(4-fluoro-2,3-dihydro-1H-inden-1-yl)-2-N-methylpropane-1,2-diamine?
The canonical SMILES for 2-N-cyclopropyl-1-N-(4-fluoro-2,3-dihydro-1H-inden-1-yl)-2-N-methylpropane-1,2-diamine is CC(CNC1CCc2c(F)cccc21)N(C)C1CC1.
What is the InChIKey of 2-N-cyclopropyl-1-N-(4-fluoro-2,3-dihydro-1H-inden-1-yl)-2-N-methylpropane-1,2-diamine?
The InChIKey is UFMNEOYDBBDBLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23FN2/c1-11(19(2)12-6-7-12)10-18-16-9-8-13-14(16)4-3-5-15(13)17/h3-5,11-12,16,18H,6-10H2,1-2H3.
What are the key properties of 2-N-cyclopropyl-1-N-(4-fluoro-2,3-dihydro-1H-inden-1-yl)-2-N-methylpropane-1,2-diamine?
2-N-cyclopropyl-1-N-(4-fluoro-2,3-dihydro-1H-inden-1-yl)-2-N-methylpropane-1,2-diamine has a molecular weight of 262.37 g/mol, XLogP of 2.89, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-cyclopropyl-1-N-(4-fluoro-2,3-dihydro-1H-inden-1-yl)-2-N-methylpropane-1,2-diamine is sourced from PubChem (CID 103781629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).