N-(2-fluoroethyl)-N-methyl-4-(1-methylindol-2-yl)aniline

C18H19FN2 — CID 73350560

IUPACN-(2-fluoroethyl)-N-methyl-4-(1-methylindol-2-yl)aniline
SMILESCN(CCF)c1ccc(-c2cc3ccccc3n2C)cc1
InChIInChI=1S/C18H19FN2/c1-20(12-11-19)16-9-7-14(8-10-16)18-13-15-5-3-4-6-17(15)21(18)2/h3-10,13H,11-12H2,1-2H3
InChIKeyIYZMIHYRPFZDIX-UHFFFAOYSA-N
MW282.36 g/mol
LogP4.25
Rot. Bonds4

About N-(2-fluoroethyl)-N-methyl-4-(1-methylindol-2-yl)aniline

N-(2-fluoroethyl)-N-methyl-4-(1-methylindol-2-yl)aniline (PubChem CID 73350560) has the molecular formula C18H19FN2 and a molecular weight of 282.36 g/mol. Its IUPAC name is N-(2-fluoroethyl)-N-methyl-4-(1-methylindol-2-yl)aniline.

Molecular Properties

Compound NameN-(2-fluoroethyl)-N-methyl-4-(1-methylindol-2-yl)aniline
PubChem CID73350560
Molecular FormulaC18H19FN2
Molecular Weight282.36 g/mol
Exact Mass282.15
IUPAC NameN-(2-fluoroethyl)-N-methyl-4-(1-methylindol-2-yl)aniline
SMILESCN(CCF)c1ccc(-c2cc3ccccc3n2C)cc1
InChIInChI=1S/C18H19FN2/c1-20(12-11-19)16-9-7-14(8-10-16)18-13-15-5-3-4-6-17(15)21(18)2/h3-10,13H,11-12H2,1-2H3
InChIKeyIYZMIHYRPFZDIX-UHFFFAOYSA-N
XLogP4.25
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.36
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_G(9)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-fluoroethyl)-N-methyl-4-(1-methylindol-2-yl)aniline?
The IUPAC name of N-(2-fluoroethyl)-N-methyl-4-(1-methylindol-2-yl)aniline (CID 73350560) is N-(2-fluoroethyl)-N-methyl-4-(1-methylindol-2-yl)aniline.
What is the SMILES notation for N-(2-fluoroethyl)-N-methyl-4-(1-methylindol-2-yl)aniline?
The canonical SMILES for N-(2-fluoroethyl)-N-methyl-4-(1-methylindol-2-yl)aniline is CN(CCF)c1ccc(-c2cc3ccccc3n2C)cc1.
What is the InChIKey of N-(2-fluoroethyl)-N-methyl-4-(1-methylindol-2-yl)aniline?
The InChIKey is IYZMIHYRPFZDIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN2/c1-20(12-11-19)16-9-7-14(8-10-16)18-13-15-5-3-4-6-17(15)21(18)2/h3-10,13H,11-12H2,1-2H3.
What are the key properties of N-(2-fluoroethyl)-N-methyl-4-(1-methylindol-2-yl)aniline?
N-(2-fluoroethyl)-N-methyl-4-(1-methylindol-2-yl)aniline has a molecular weight of 282.36 g/mol, XLogP of 4.25, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluoroethyl)-N-methyl-4-(1-methylindol-2-yl)aniline is sourced from PubChem (CID 73350560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).