2-[(2-chloro-5-fluorophenyl)methyl]-2,3-dihydro-1H-inden-1-amine

C16H15ClFN — CID 102616734

IUPAC2-[(2-chloro-5-fluorophenyl)methyl]-2,3-dihydro-1H-inden-1-amine
SMILESNC1c2ccccc2CC1Cc1cc(F)ccc1Cl
InChIInChI=1S/C16H15ClFN/c17-15-6-5-13(18)9-11(15)8-12-7-10-3-1-2-4-14(10)16(12)19/h1-6,9,12,16H,7-8,19H2
InChIKeyARCXYCAGBCJRSQ-UHFFFAOYSA-N
MW275.75 g/mol
LogP3.89
Rot. Bonds2

About 2-[(2-chloro-5-fluorophenyl)methyl]-2,3-dihydro-1H-inden-1-amine

2-[(2-chloro-5-fluorophenyl)methyl]-2,3-dihydro-1H-inden-1-amine (PubChem CID 102616734) has the molecular formula C16H15ClFN and a molecular weight of 275.75 g/mol. Its IUPAC name is 2-[(2-chloro-5-fluorophenyl)methyl]-2,3-dihydro-1H-inden-1-amine.

Molecular Properties

Compound Name2-[(2-chloro-5-fluorophenyl)methyl]-2,3-dihydro-1H-inden-1-amine
PubChem CID102616734
Molecular FormulaC16H15ClFN
Molecular Weight275.75 g/mol
Exact Mass275.09
IUPAC Name2-[(2-chloro-5-fluorophenyl)methyl]-2,3-dihydro-1H-inden-1-amine
SMILESNC1c2ccccc2CC1Cc1cc(F)ccc1Cl
InChIInChI=1S/C16H15ClFN/c17-15-6-5-13(18)9-11(15)8-12-7-10-3-1-2-4-14(10)16(12)19/h1-6,9,12,16H,7-8,19H2
InChIKeyARCXYCAGBCJRSQ-UHFFFAOYSA-N
XLogP3.89
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.75
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-chloro-5-fluorophenyl)methyl]-2,3-dihydro-1H-inden-1-amine?
The IUPAC name of 2-[(2-chloro-5-fluorophenyl)methyl]-2,3-dihydro-1H-inden-1-amine (CID 102616734) is 2-[(2-chloro-5-fluorophenyl)methyl]-2,3-dihydro-1H-inden-1-amine.
What is the SMILES notation for 2-[(2-chloro-5-fluorophenyl)methyl]-2,3-dihydro-1H-inden-1-amine?
The canonical SMILES for 2-[(2-chloro-5-fluorophenyl)methyl]-2,3-dihydro-1H-inden-1-amine is NC1c2ccccc2CC1Cc1cc(F)ccc1Cl.
What is the InChIKey of 2-[(2-chloro-5-fluorophenyl)methyl]-2,3-dihydro-1H-inden-1-amine?
The InChIKey is ARCXYCAGBCJRSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClFN/c17-15-6-5-13(18)9-11(15)8-12-7-10-3-1-2-4-14(10)16(12)19/h1-6,9,12,16H,7-8,19H2.
What are the key properties of 2-[(2-chloro-5-fluorophenyl)methyl]-2,3-dihydro-1H-inden-1-amine?
2-[(2-chloro-5-fluorophenyl)methyl]-2,3-dihydro-1H-inden-1-amine has a molecular weight of 275.75 g/mol, XLogP of 3.89, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chloro-5-fluorophenyl)methyl]-2,3-dihydro-1H-inden-1-amine is sourced from PubChem (CID 102616734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).