1-(2,4-difluorophenyl)-2,3-dihydroinden-1-amine

C15H13F2N — CID 55120511

IUPAC1-(2,4-difluorophenyl)-2,3-dihydroinden-1-amine
SMILESNC1(c2ccc(F)cc2F)CCc2ccccc21
InChIInChI=1S/C15H13F2N/c16-11-5-6-13(14(17)9-11)15(18)8-7-10-3-1-2-4-12(10)15/h1-6,9H,7-8,18H2
InChIKeyAUBBRIDVDTWCGU-UHFFFAOYSA-N
MW245.27 g/mol
LogP3.11
Rot. Bonds1

About 1-(2,4-difluorophenyl)-2,3-dihydroinden-1-amine

1-(2,4-difluorophenyl)-2,3-dihydroinden-1-amine (PubChem CID 55120511) has the molecular formula C15H13F2N and a molecular weight of 245.27 g/mol. Its IUPAC name is 1-(2,4-difluorophenyl)-2,3-dihydroinden-1-amine.

Molecular Properties

Compound Name1-(2,4-difluorophenyl)-2,3-dihydroinden-1-amine
PubChem CID55120511
Molecular FormulaC15H13F2N
Molecular Weight245.27 g/mol
Exact Mass245.10
IUPAC Name1-(2,4-difluorophenyl)-2,3-dihydroinden-1-amine
SMILESNC1(c2ccc(F)cc2F)CCc2ccccc21
InChIInChI=1S/C15H13F2N/c16-11-5-6-13(14(17)9-11)15(18)8-7-10-3-1-2-4-12(10)15/h1-6,9H,7-8,18H2
InChIKeyAUBBRIDVDTWCGU-UHFFFAOYSA-N
XLogP3.11
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.27
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(2,4-difluorophenyl)-2,3-dihydroinden-1-amine?
The IUPAC name of 1-(2,4-difluorophenyl)-2,3-dihydroinden-1-amine (CID 55120511) is 1-(2,4-difluorophenyl)-2,3-dihydroinden-1-amine.
What is the SMILES notation for 1-(2,4-difluorophenyl)-2,3-dihydroinden-1-amine?
The canonical SMILES for 1-(2,4-difluorophenyl)-2,3-dihydroinden-1-amine is NC1(c2ccc(F)cc2F)CCc2ccccc21.
What is the InChIKey of 1-(2,4-difluorophenyl)-2,3-dihydroinden-1-amine?
The InChIKey is AUBBRIDVDTWCGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F2N/c16-11-5-6-13(14(17)9-11)15(18)8-7-10-3-1-2-4-12(10)15/h1-6,9H,7-8,18H2.
What are the key properties of 1-(2,4-difluorophenyl)-2,3-dihydroinden-1-amine?
1-(2,4-difluorophenyl)-2,3-dihydroinden-1-amine has a molecular weight of 245.27 g/mol, XLogP of 3.11, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-difluorophenyl)-2,3-dihydroinden-1-amine is sourced from PubChem (CID 55120511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).