3-(3-chloro-4-fluorophenyl)-N,N-dimethyl-1H-inden-1-amine

C17H15ClFN — CID 70520120

IUPAC3-(3-chloro-4-fluorophenyl)-N,N-dimethyl-1H-inden-1-amine
SMILESCN(C)C1C=C(c2ccc(F)c(Cl)c2)c2ccccc21
InChIInChI=1S/C17H15ClFN/c1-20(2)17-10-14(12-5-3-4-6-13(12)17)11-7-8-16(19)15(18)9-11/h3-10,17H,1-2H3
InChIKeyBENAICHHPWLGFX-UHFFFAOYSA-N
MW287.77 g/mol
LogP4.53
Rot. Bonds2

About 3-(3-chloro-4-fluorophenyl)-N,N-dimethyl-1H-inden-1-amine

3-(3-chloro-4-fluorophenyl)-N,N-dimethyl-1H-inden-1-amine (PubChem CID 70520120) has the molecular formula C17H15ClFN and a molecular weight of 287.77 g/mol. Its IUPAC name is 3-(3-chloro-4-fluorophenyl)-N,N-dimethyl-1H-inden-1-amine.

Molecular Properties

Compound Name3-(3-chloro-4-fluorophenyl)-N,N-dimethyl-1H-inden-1-amine
PubChem CID70520120
Molecular FormulaC17H15ClFN
Molecular Weight287.77 g/mol
Exact Mass287.09
IUPAC Name3-(3-chloro-4-fluorophenyl)-N,N-dimethyl-1H-inden-1-amine
SMILESCN(C)C1C=C(c2ccc(F)c(Cl)c2)c2ccccc21
InChIInChI=1S/C17H15ClFN/c1-20(2)17-10-14(12-5-3-4-6-13(12)17)11-7-8-16(19)15(18)9-11/h3-10,17H,1-2H3
InChIKeyBENAICHHPWLGFX-UHFFFAOYSA-N
XLogP4.53
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.77
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-(3-chloro-4-fluorophenyl)-N,N-dimethyl-1H-inden-1-amine?
The IUPAC name of 3-(3-chloro-4-fluorophenyl)-N,N-dimethyl-1H-inden-1-amine (CID 70520120) is 3-(3-chloro-4-fluorophenyl)-N,N-dimethyl-1H-inden-1-amine.
What is the SMILES notation for 3-(3-chloro-4-fluorophenyl)-N,N-dimethyl-1H-inden-1-amine?
The canonical SMILES for 3-(3-chloro-4-fluorophenyl)-N,N-dimethyl-1H-inden-1-amine is CN(C)C1C=C(c2ccc(F)c(Cl)c2)c2ccccc21.
What is the InChIKey of 3-(3-chloro-4-fluorophenyl)-N,N-dimethyl-1H-inden-1-amine?
The InChIKey is BENAICHHPWLGFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClFN/c1-20(2)17-10-14(12-5-3-4-6-13(12)17)11-7-8-16(19)15(18)9-11/h3-10,17H,1-2H3.
What are the key properties of 3-(3-chloro-4-fluorophenyl)-N,N-dimethyl-1H-inden-1-amine?
3-(3-chloro-4-fluorophenyl)-N,N-dimethyl-1H-inden-1-amine has a molecular weight of 287.77 g/mol, XLogP of 4.53, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chloro-4-fluorophenyl)-N,N-dimethyl-1H-inden-1-amine is sourced from PubChem (CID 70520120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).