N-[(5-fluoro-2,3-dihydro-1H-inden-4-yl)methyl]-4-methylaniline

C17H18FN — CID 167055520

IUPACN-[(5-fluoro-2,3-dihydro-1H-inden-4-yl)methyl]-4-methylaniline
SMILESCc1ccc(NCc2c(F)ccc3c2CCC3)cc1
InChIInChI=1S/C17H18FN/c1-12-5-8-14(9-6-12)19-11-16-15-4-2-3-13(15)7-10-17(16)18/h5-10,19H,2-4,11H2,1H3
InChIKeyJGNOQUNFIWFRNV-UHFFFAOYSA-N
MW255.34 g/mol
LogP4.23
Rot. Bonds3

About N-[(5-fluoro-2,3-dihydro-1H-inden-4-yl)methyl]-4-methylaniline

N-[(5-fluoro-2,3-dihydro-1H-inden-4-yl)methyl]-4-methylaniline (PubChem CID 167055520) has the molecular formula C17H18FN and a molecular weight of 255.34 g/mol. Its IUPAC name is N-[(5-fluoro-2,3-dihydro-1H-inden-4-yl)methyl]-4-methylaniline.

Molecular Properties

Compound NameN-[(5-fluoro-2,3-dihydro-1H-inden-4-yl)methyl]-4-methylaniline
PubChem CID167055520
Molecular FormulaC17H18FN
Molecular Weight255.34 g/mol
Exact Mass255.14
IUPAC NameN-[(5-fluoro-2,3-dihydro-1H-inden-4-yl)methyl]-4-methylaniline
SMILESCc1ccc(NCc2c(F)ccc3c2CCC3)cc1
InChIInChI=1S/C17H18FN/c1-12-5-8-14(9-6-12)19-11-16-15-4-2-3-13(15)7-10-17(16)18/h5-10,19H,2-4,11H2,1H3
InChIKeyJGNOQUNFIWFRNV-UHFFFAOYSA-N
XLogP4.23
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.34
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-[(5-fluoro-2,3-dihydro-1H-inden-4-yl)methyl]-4-methylaniline?
The IUPAC name of N-[(5-fluoro-2,3-dihydro-1H-inden-4-yl)methyl]-4-methylaniline (CID 167055520) is N-[(5-fluoro-2,3-dihydro-1H-inden-4-yl)methyl]-4-methylaniline.
What is the SMILES notation for N-[(5-fluoro-2,3-dihydro-1H-inden-4-yl)methyl]-4-methylaniline?
The canonical SMILES for N-[(5-fluoro-2,3-dihydro-1H-inden-4-yl)methyl]-4-methylaniline is Cc1ccc(NCc2c(F)ccc3c2CCC3)cc1.
What is the InChIKey of N-[(5-fluoro-2,3-dihydro-1H-inden-4-yl)methyl]-4-methylaniline?
The InChIKey is JGNOQUNFIWFRNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FN/c1-12-5-8-14(9-6-12)19-11-16-15-4-2-3-13(15)7-10-17(16)18/h5-10,19H,2-4,11H2,1H3.
What are the key properties of N-[(5-fluoro-2,3-dihydro-1H-inden-4-yl)methyl]-4-methylaniline?
N-[(5-fluoro-2,3-dihydro-1H-inden-4-yl)methyl]-4-methylaniline has a molecular weight of 255.34 g/mol, XLogP of 4.23, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-fluoro-2,3-dihydro-1H-inden-4-yl)methyl]-4-methylaniline is sourced from PubChem (CID 167055520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).