N-(2-fluoroethyl)-N-methyl-2-[3-(1-pyridin-2-ylethyl)-1H-inden-2-yl]ethanamine

C21H25FN2 — CID 10969390

IUPACN-(2-fluoroethyl)-N-methyl-2-[3-(1-pyridin-2-ylethyl)-1H-inden-2-yl]ethanamine
SMILESCC(C1=C(CCN(C)CCF)Cc2ccccc21)c1ccccn1
InChIInChI=1S/C21H25FN2/c1-16(20-9-5-6-12-23-20)21-18(10-13-24(2)14-11-22)15-17-7-3-4-8-19(17)21/h3-9,12,16H,10-11,13-15H2,1-2H3
InChIKeyYRDKYTTYDOWYLC-UHFFFAOYSA-N
MW324.44 g/mol
LogP4.49
Rot. Bonds7

About N-(2-fluoroethyl)-N-methyl-2-[3-(1-pyridin-2-ylethyl)-1H-inden-2-yl]ethanamine

N-(2-fluoroethyl)-N-methyl-2-[3-(1-pyridin-2-ylethyl)-1H-inden-2-yl]ethanamine (PubChem CID 10969390) has the molecular formula C21H25FN2 and a molecular weight of 324.44 g/mol. Its IUPAC name is N-(2-fluoroethyl)-N-methyl-2-[3-(1-pyridin-2-ylethyl)-1H-inden-2-yl]ethanamine.

Molecular Properties

Compound NameN-(2-fluoroethyl)-N-methyl-2-[3-(1-pyridin-2-ylethyl)-1H-inden-2-yl]ethanamine
PubChem CID10969390
Molecular FormulaC21H25FN2
Molecular Weight324.44 g/mol
Exact Mass324.20
IUPAC NameN-(2-fluoroethyl)-N-methyl-2-[3-(1-pyridin-2-ylethyl)-1H-inden-2-yl]ethanamine
SMILESCC(C1=C(CCN(C)CCF)Cc2ccccc21)c1ccccn1
InChIInChI=1S/C21H25FN2/c1-16(20-9-5-6-12-23-20)21-18(10-13-24(2)14-11-22)15-17-7-3-4-8-19(17)21/h3-9,12,16H,10-11,13-15H2,1-2H3
InChIKeyYRDKYTTYDOWYLC-UHFFFAOYSA-N
XLogP4.49
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.44
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(+-)-Chlorpheniramine
CID 2725
Triprolidine
CID 5282443
Brompheniramine
CID 6834
(+-)-Dimethindene
CID 21855
Dexchlorpheniramine
CID 33036
Pheniramine
CID 4761
Myosmine
CID 442649
Azatadine
CID 19861
Triprolidine Hydrochloride Anhydrous
CID 5702129
5-Ethyl-2-methylpyridine
CID 7728
5,5'-Dimethyl-2,2'-bipyridyl
CID 15664
Dexbrompheniramine
CID 16960

Frequently Asked Questions

What is the IUPAC name of N-(2-fluoroethyl)-N-methyl-2-[3-(1-pyridin-2-ylethyl)-1H-inden-2-yl]ethanamine?
The IUPAC name of N-(2-fluoroethyl)-N-methyl-2-[3-(1-pyridin-2-ylethyl)-1H-inden-2-yl]ethanamine (CID 10969390) is N-(2-fluoroethyl)-N-methyl-2-[3-(1-pyridin-2-ylethyl)-1H-inden-2-yl]ethanamine.
What is the SMILES notation for N-(2-fluoroethyl)-N-methyl-2-[3-(1-pyridin-2-ylethyl)-1H-inden-2-yl]ethanamine?
The canonical SMILES for N-(2-fluoroethyl)-N-methyl-2-[3-(1-pyridin-2-ylethyl)-1H-inden-2-yl]ethanamine is CC(C1=C(CCN(C)CCF)Cc2ccccc21)c1ccccn1.
What is the InChIKey of N-(2-fluoroethyl)-N-methyl-2-[3-(1-pyridin-2-ylethyl)-1H-inden-2-yl]ethanamine?
The InChIKey is YRDKYTTYDOWYLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25FN2/c1-16(20-9-5-6-12-23-20)21-18(10-13-24(2)14-11-22)15-17-7-3-4-8-19(17)21/h3-9,12,16H,10-11,13-15H2,1-2H3.
What are the key properties of N-(2-fluoroethyl)-N-methyl-2-[3-(1-pyridin-2-ylethyl)-1H-inden-2-yl]ethanamine?
N-(2-fluoroethyl)-N-methyl-2-[3-(1-pyridin-2-ylethyl)-1H-inden-2-yl]ethanamine has a molecular weight of 324.44 g/mol, XLogP of 4.49, 7 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-2-[3-(1-pyridin-2-ylethyl)-1H-inden-2-yl]ethanamine is sourced from PubChem (CID 10969390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).