2-N-[1-(2-fluorophenyl)ethyl]-2-N-methyl-2,3-dihydro-1H-indene-1,2-diamine

C18H21FN2 — CID 62979149

IUPAC2-N-[1-(2-fluorophenyl)ethyl]-2-N-methyl-2,3-dihydro-1H-indene-1,2-diamine
SMILESCC(c1ccccc1F)N(C)C1Cc2ccccc2C1N
InChIInChI=1S/C18H21FN2/c1-12(14-8-5-6-10-16(14)19)21(2)17-11-13-7-3-4-9-15(13)18(17)20/h3-10,12,17-18H,11,20H2,1-2H3
InChIKeyZDEPLTOJEPYFCM-UHFFFAOYSA-N
MW284.38 g/mol
LogP3.44
Rot. Bonds3

About 2-N-[1-(2-fluorophenyl)ethyl]-2-N-methyl-2,3-dihydro-1H-indene-1,2-diamine

2-N-[1-(2-fluorophenyl)ethyl]-2-N-methyl-2,3-dihydro-1H-indene-1,2-diamine (PubChem CID 62979149) has the molecular formula C18H21FN2 and a molecular weight of 284.38 g/mol. Its IUPAC name is 2-N-[1-(2-fluorophenyl)ethyl]-2-N-methyl-2,3-dihydro-1H-indene-1,2-diamine.

Molecular Properties

Compound Name2-N-[1-(2-fluorophenyl)ethyl]-2-N-methyl-2,3-dihydro-1H-indene-1,2-diamine
PubChem CID62979149
Molecular FormulaC18H21FN2
Molecular Weight284.38 g/mol
Exact Mass284.17
IUPAC Name2-N-[1-(2-fluorophenyl)ethyl]-2-N-methyl-2,3-dihydro-1H-indene-1,2-diamine
SMILESCC(c1ccccc1F)N(C)C1Cc2ccccc2C1N
InChIInChI=1S/C18H21FN2/c1-12(14-8-5-6-10-16(14)19)21(2)17-11-13-7-3-4-9-15(13)18(17)20/h3-10,12,17-18H,11,20H2,1-2H3
InChIKeyZDEPLTOJEPYFCM-UHFFFAOYSA-N
XLogP3.44
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-N-[1-(2-fluorophenyl)ethyl]-2-N-methyl-2,3-dihydro-1H-indene-1,2-diamine?
The IUPAC name of 2-N-[1-(2-fluorophenyl)ethyl]-2-N-methyl-2,3-dihydro-1H-indene-1,2-diamine (CID 62979149) is 2-N-[1-(2-fluorophenyl)ethyl]-2-N-methyl-2,3-dihydro-1H-indene-1,2-diamine.
What is the SMILES notation for 2-N-[1-(2-fluorophenyl)ethyl]-2-N-methyl-2,3-dihydro-1H-indene-1,2-diamine?
The canonical SMILES for 2-N-[1-(2-fluorophenyl)ethyl]-2-N-methyl-2,3-dihydro-1H-indene-1,2-diamine is CC(c1ccccc1F)N(C)C1Cc2ccccc2C1N.
What is the InChIKey of 2-N-[1-(2-fluorophenyl)ethyl]-2-N-methyl-2,3-dihydro-1H-indene-1,2-diamine?
The InChIKey is ZDEPLTOJEPYFCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN2/c1-12(14-8-5-6-10-16(14)19)21(2)17-11-13-7-3-4-9-15(13)18(17)20/h3-10,12,17-18H,11,20H2,1-2H3.
What are the key properties of 2-N-[1-(2-fluorophenyl)ethyl]-2-N-methyl-2,3-dihydro-1H-indene-1,2-diamine?
2-N-[1-(2-fluorophenyl)ethyl]-2-N-methyl-2,3-dihydro-1H-indene-1,2-diamine has a molecular weight of 284.38 g/mol, XLogP of 3.44, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[1-(2-fluorophenyl)ethyl]-2-N-methyl-2,3-dihydro-1H-indene-1,2-diamine is sourced from PubChem (CID 62979149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).