6-chloro-N-(2,3-difluorophenyl)-2,2-dimethyl-1,3-dihydroinden-1-amine

C17H16ClF2N — CID 83066103

IUPAC6-chloro-N-(2,3-difluorophenyl)-2,2-dimethyl-1,3-dihydroinden-1-amine
SMILESCC1(C)Cc2ccc(Cl)cc2C1Nc1cccc(F)c1F
InChIInChI=1S/C17H16ClF2N/c1-17(2)9-10-6-7-11(18)8-12(10)16(17)21-14-5-3-4-13(19)15(14)20/h3-8,16,21H,9H2,1-2H3
InChIKeyKVWPAOJXNAJHQI-UHFFFAOYSA-N
MW307.77 g/mol
LogP5.35
Rot. Bonds2

About 6-chloro-N-(2,3-difluorophenyl)-2,2-dimethyl-1,3-dihydroinden-1-amine

6-chloro-N-(2,3-difluorophenyl)-2,2-dimethyl-1,3-dihydroinden-1-amine (PubChem CID 83066103) has the molecular formula C17H16ClF2N and a molecular weight of 307.77 g/mol. Its IUPAC name is 6-chloro-N-(2,3-difluorophenyl)-2,2-dimethyl-1,3-dihydroinden-1-amine.

Molecular Properties

Compound Name6-chloro-N-(2,3-difluorophenyl)-2,2-dimethyl-1,3-dihydroinden-1-amine
PubChem CID83066103
Molecular FormulaC17H16ClF2N
Molecular Weight307.77 g/mol
Exact Mass307.09
IUPAC Name6-chloro-N-(2,3-difluorophenyl)-2,2-dimethyl-1,3-dihydroinden-1-amine
SMILESCC1(C)Cc2ccc(Cl)cc2C1Nc1cccc(F)c1F
InChIInChI=1S/C17H16ClF2N/c1-17(2)9-10-6-7-11(18)8-12(10)16(17)21-14-5-3-4-13(19)15(14)20/h3-8,16,21H,9H2,1-2H3
InChIKeyKVWPAOJXNAJHQI-UHFFFAOYSA-N
XLogP5.35
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500307.77
LogP ≤ 55.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(2,3-difluorophenyl)-2,2-dimethyl-1,3-dihydroinden-1-amine?
The IUPAC name of 6-chloro-N-(2,3-difluorophenyl)-2,2-dimethyl-1,3-dihydroinden-1-amine (CID 83066103) is 6-chloro-N-(2,3-difluorophenyl)-2,2-dimethyl-1,3-dihydroinden-1-amine.
What is the SMILES notation for 6-chloro-N-(2,3-difluorophenyl)-2,2-dimethyl-1,3-dihydroinden-1-amine?
The canonical SMILES for 6-chloro-N-(2,3-difluorophenyl)-2,2-dimethyl-1,3-dihydroinden-1-amine is CC1(C)Cc2ccc(Cl)cc2C1Nc1cccc(F)c1F.
What is the InChIKey of 6-chloro-N-(2,3-difluorophenyl)-2,2-dimethyl-1,3-dihydroinden-1-amine?
The InChIKey is KVWPAOJXNAJHQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClF2N/c1-17(2)9-10-6-7-11(18)8-12(10)16(17)21-14-5-3-4-13(19)15(14)20/h3-8,16,21H,9H2,1-2H3.
What are the key properties of 6-chloro-N-(2,3-difluorophenyl)-2,2-dimethyl-1,3-dihydroinden-1-amine?
6-chloro-N-(2,3-difluorophenyl)-2,2-dimethyl-1,3-dihydroinden-1-amine has a molecular weight of 307.77 g/mol, XLogP of 5.35, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(2,3-difluorophenyl)-2,2-dimethyl-1,3-dihydroinden-1-amine is sourced from PubChem (CID 83066103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).