N-(5-chloro-2-fluorophenyl)-2,2-dimethyl-1,3-dihydroinden-1-amine

C17H17ClFN — CID 82821346

IUPACN-(5-chloro-2-fluorophenyl)-2,2-dimethyl-1,3-dihydroinden-1-amine
SMILESCC1(C)Cc2ccccc2C1Nc1cc(Cl)ccc1F
InChIInChI=1S/C17H17ClFN/c1-17(2)10-11-5-3-4-6-13(11)16(17)20-15-9-12(18)7-8-14(15)19/h3-9,16,20H,10H2,1-2H3
InChIKeyZSUUMVRNUQMLHE-UHFFFAOYSA-N
MW289.78 g/mol
LogP5.21
Rot. Bonds2

About N-(5-chloro-2-fluorophenyl)-2,2-dimethyl-1,3-dihydroinden-1-amine

N-(5-chloro-2-fluorophenyl)-2,2-dimethyl-1,3-dihydroinden-1-amine (PubChem CID 82821346) has the molecular formula C17H17ClFN and a molecular weight of 289.78 g/mol. Its IUPAC name is N-(5-chloro-2-fluorophenyl)-2,2-dimethyl-1,3-dihydroinden-1-amine.

Molecular Properties

Compound NameN-(5-chloro-2-fluorophenyl)-2,2-dimethyl-1,3-dihydroinden-1-amine
PubChem CID82821346
Molecular FormulaC17H17ClFN
Molecular Weight289.78 g/mol
Exact Mass289.10
IUPAC NameN-(5-chloro-2-fluorophenyl)-2,2-dimethyl-1,3-dihydroinden-1-amine
SMILESCC1(C)Cc2ccccc2C1Nc1cc(Cl)ccc1F
InChIInChI=1S/C17H17ClFN/c1-17(2)10-11-5-3-4-6-13(11)16(17)20-15-9-12(18)7-8-14(15)19/h3-9,16,20H,10H2,1-2H3
InChIKeyZSUUMVRNUQMLHE-UHFFFAOYSA-N
XLogP5.21
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500289.78
LogP ≤ 55.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-fluorophenyl)-2,2-dimethyl-1,3-dihydroinden-1-amine?
The IUPAC name of N-(5-chloro-2-fluorophenyl)-2,2-dimethyl-1,3-dihydroinden-1-amine (CID 82821346) is N-(5-chloro-2-fluorophenyl)-2,2-dimethyl-1,3-dihydroinden-1-amine.
What is the SMILES notation for N-(5-chloro-2-fluorophenyl)-2,2-dimethyl-1,3-dihydroinden-1-amine?
The canonical SMILES for N-(5-chloro-2-fluorophenyl)-2,2-dimethyl-1,3-dihydroinden-1-amine is CC1(C)Cc2ccccc2C1Nc1cc(Cl)ccc1F.
What is the InChIKey of N-(5-chloro-2-fluorophenyl)-2,2-dimethyl-1,3-dihydroinden-1-amine?
The InChIKey is ZSUUMVRNUQMLHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClFN/c1-17(2)10-11-5-3-4-6-13(11)16(17)20-15-9-12(18)7-8-14(15)19/h3-9,16,20H,10H2,1-2H3.
What are the key properties of N-(5-chloro-2-fluorophenyl)-2,2-dimethyl-1,3-dihydroinden-1-amine?
N-(5-chloro-2-fluorophenyl)-2,2-dimethyl-1,3-dihydroinden-1-amine has a molecular weight of 289.78 g/mol, XLogP of 5.21, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-fluorophenyl)-2,2-dimethyl-1,3-dihydroinden-1-amine is sourced from PubChem (CID 82821346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).