ethane;N-(2-fluorophenyl)-N-(2-pyrrolidin-2-ylethyl)-2,3-dihydro-1H-inden-2-amine

C23H31FN2 — CID 144575319

IUPACethane;N-(2-fluorophenyl)-N-(2-pyrrolidin-2-ylethyl)-2,3-dihydro-1H-inden-2-amine
SMILESCC.Fc1ccccc1N(CCC1CCCN1)C1Cc2ccccc2C1
InChIInChI=1S/C21H25FN2.C2H6/c22-20-9-3-4-10-21(20)24(13-11-18-8-5-12-23-18)19-14-16-6-1-2-7-17(16)15-19;1-2/h1-4,6-7,9-10,18-19,23H,5,8,11-15H2;1-2H3
InChIKeySWPYJNGLXIBUHP-UHFFFAOYSA-N
MW354.51 g/mol
LogP4.97
Rot. Bonds5

About ethane;N-(2-fluorophenyl)-N-(2-pyrrolidin-2-ylethyl)-2,3-dihydro-1H-inden-2-amine

ethane;N-(2-fluorophenyl)-N-(2-pyrrolidin-2-ylethyl)-2,3-dihydro-1H-inden-2-amine (PubChem CID 144575319) has the molecular formula C23H31FN2 and a molecular weight of 354.51 g/mol. Its IUPAC name is ethane;N-(2-fluorophenyl)-N-(2-pyrrolidin-2-ylethyl)-2,3-dihydro-1H-inden-2-amine.

Molecular Properties

Compound Nameethane;N-(2-fluorophenyl)-N-(2-pyrrolidin-2-ylethyl)-2,3-dihydro-1H-inden-2-amine
PubChem CID144575319
Molecular FormulaC23H31FN2
Molecular Weight354.51 g/mol
Exact Mass354.25
IUPAC Nameethane;N-(2-fluorophenyl)-N-(2-pyrrolidin-2-ylethyl)-2,3-dihydro-1H-inden-2-amine
SMILESCC.Fc1ccccc1N(CCC1CCCN1)C1Cc2ccccc2C1
InChIInChI=1S/C21H25FN2.C2H6/c22-20-9-3-4-10-21(20)24(13-11-18-8-5-12-23-18)19-14-16-6-1-2-7-17(16)15-19;1-2/h1-4,6-7,9-10,18-19,23H,5,8,11-15H2;1-2H3
InChIKeySWPYJNGLXIBUHP-UHFFFAOYSA-N
XLogP4.97
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.51
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze ethane;N-(2-fluorophenyl)-N-(2-pyrrolidin-2-ylethyl)-2,3-dihydro-1H-inden-2-amine with MolForge

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Related Compounds

N-phenyl-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]-2,3-dihydro-1H-inden-2-amine
CID 134382841
N-ethyl-2-fluoro-N-[[(2S)-pyrrolidin-2-yl]methyl]aniline
CID 102819482
N-(azepan-2-ylmethyl)-2-fluoro-N-methylaniline
CID 64569973
N-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-N-(2-piperidin-2-ylethyl)-2,3-dihydro-1H-inden-2-amine
CID 134382774
N-ethyl-N-(2-fluorophenyl)azepan-4-amine
CID 112690286
N-(5-methylcyclohepta-1,3,6-trien-1-yl)-N-(pyrrolidin-2-ylmethyl)-2,3-dihydro-1H-inden-2-amine
CID 123562118
N-butyl-N-(pyrrolidin-2-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-amine
CID 106604683
2-[2-(2-fluorophenyl)sulfanylethyl]pyrrolidine
CID 84690030
3-(2-fluorophenyl)-1-methyl-1-(2-piperidin-2-ylethyl)urea
CID 43187196
2-fluoro-N,N-dimethyl-6-(pyrrolidin-2-ylmethyl)aniline
CID 117118269
N-methyl-N-(2-piperidin-2-ylethyl)cyclohexanamine
CID 43149893
N-ethyl-N-(2-pyrrolidin-2-ylethyl)propan-1-amine
CID 61366274

Frequently Asked Questions

What is the IUPAC name of ethane;N-(2-fluorophenyl)-N-(2-pyrrolidin-2-ylethyl)-2,3-dihydro-1H-inden-2-amine?
The IUPAC name of ethane;N-(2-fluorophenyl)-N-(2-pyrrolidin-2-ylethyl)-2,3-dihydro-1H-inden-2-amine (CID 144575319) is ethane;N-(2-fluorophenyl)-N-(2-pyrrolidin-2-ylethyl)-2,3-dihydro-1H-inden-2-amine.
What is the SMILES notation for ethane;N-(2-fluorophenyl)-N-(2-pyrrolidin-2-ylethyl)-2,3-dihydro-1H-inden-2-amine?
The canonical SMILES for ethane;N-(2-fluorophenyl)-N-(2-pyrrolidin-2-ylethyl)-2,3-dihydro-1H-inden-2-amine is CC.Fc1ccccc1N(CCC1CCCN1)C1Cc2ccccc2C1.
What is the InChIKey of ethane;N-(2-fluorophenyl)-N-(2-pyrrolidin-2-ylethyl)-2,3-dihydro-1H-inden-2-amine?
The InChIKey is SWPYJNGLXIBUHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25FN2.C2H6/c22-20-9-3-4-10-21(20)24(13-11-18-8-5-12-23-18)19-14-16-6-1-2-7-17(16)15-19;1-2/h1-4,6-7,9-10,18-19,23H,5,8,11-15H2;1-2H3.
What are the key properties of ethane;N-(2-fluorophenyl)-N-(2-pyrrolidin-2-ylethyl)-2,3-dihydro-1H-inden-2-amine?
ethane;N-(2-fluorophenyl)-N-(2-pyrrolidin-2-ylethyl)-2,3-dihydro-1H-inden-2-amine has a molecular weight of 354.51 g/mol, XLogP of 4.97, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-(2-fluorophenyl)-N-(2-pyrrolidin-2-ylethyl)-2,3-dihydro-1H-inden-2-amine is sourced from PubChem (CID 144575319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).