4-fluoro-N-propyl-N-(pyrrolidin-2-ylmethyl)-2,3-dihydro-1H-inden-1-amine

C17H25FN2 — CID 106604082

IUPAC4-fluoro-N-propyl-N-(pyrrolidin-2-ylmethyl)-2,3-dihydro-1H-inden-1-amine
SMILESCCCN(CC1CCCN1)C1CCc2c(F)cccc21
InChIInChI=1S/C17H25FN2/c1-2-11-20(12-13-5-4-10-19-13)17-9-8-14-15(17)6-3-7-16(14)18/h3,6-7,13,17,19H,2,4-5,8-12H2,1H3
InChIKeyBFKNGKASTWQGNM-UHFFFAOYSA-N
MW276.40 g/mol
LogP3.28
Rot. Bonds5

About 4-fluoro-N-propyl-N-(pyrrolidin-2-ylmethyl)-2,3-dihydro-1H-inden-1-amine

4-fluoro-N-propyl-N-(pyrrolidin-2-ylmethyl)-2,3-dihydro-1H-inden-1-amine (PubChem CID 106604082) has the molecular formula C17H25FN2 and a molecular weight of 276.40 g/mol. Its IUPAC name is 4-fluoro-N-propyl-N-(pyrrolidin-2-ylmethyl)-2,3-dihydro-1H-inden-1-amine.

Molecular Properties

Compound Name4-fluoro-N-propyl-N-(pyrrolidin-2-ylmethyl)-2,3-dihydro-1H-inden-1-amine
PubChem CID106604082
Molecular FormulaC17H25FN2
Molecular Weight276.40 g/mol
Exact Mass276.20
IUPAC Name4-fluoro-N-propyl-N-(pyrrolidin-2-ylmethyl)-2,3-dihydro-1H-inden-1-amine
SMILESCCCN(CC1CCCN1)C1CCc2c(F)cccc21
InChIInChI=1S/C17H25FN2/c1-2-11-20(12-13-5-4-10-19-13)17-9-8-14-15(17)6-3-7-16(14)18/h3,6-7,13,17,19H,2,4-5,8-12H2,1H3
InChIKeyBFKNGKASTWQGNM-UHFFFAOYSA-N
XLogP3.28
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.40
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-fluoro-N-(piperidin-2-ylmethyl)-N-propan-2-yl-2,3-dihydro-1H-inden-1-amine
CID 106622203
6-methoxy-N-propyl-N-(pyrrolidin-2-ylmethyl)-2,3-dihydro-1H-inden-1-amine
CID 106604140
2-[2,3-dihydro-1H-inden-1-yl(pyrrolidin-2-ylmethyl)amino]ethanol
CID 106606505
N-ethyl-4-methyl-N-(pyrrolidin-2-ylmethyl)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 106603480
N-(piperidin-2-ylmethyl)-N-propyl-3,4-dihydro-1H-isochromen-4-amine
CID 107150035
N-propyl-N-(pyrrolidin-2-ylmethyl)cyclohexanamine
CID 106603994
N-ethyl-2-fluoro-N-[[(2S)-pyrrolidin-2-yl]methyl]aniline
CID 102819482
2-fluoro-N,N-dimethyl-6-(pyrrolidin-2-ylmethyl)aniline
CID 117118269
N-[(2-bromo-3-fluorophenyl)methyl]-N-(pyrrolidin-2-ylmethyl)butan-1-amine
CID 106616825
N-[1-(2-fluorophenyl)ethyl]-N-(piperidin-2-ylmethyl)propan-1-amine
CID 106623204
N-cyclopropyl-4-fluoro-N-(piperidin-4-ylmethyl)-2,3-dihydro-1H-inden-1-amine
CID 83059884
3,4-difluoro-N-propyl-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106610422

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-propyl-N-(pyrrolidin-2-ylmethyl)-2,3-dihydro-1H-inden-1-amine?
The IUPAC name of 4-fluoro-N-propyl-N-(pyrrolidin-2-ylmethyl)-2,3-dihydro-1H-inden-1-amine (CID 106604082) is 4-fluoro-N-propyl-N-(pyrrolidin-2-ylmethyl)-2,3-dihydro-1H-inden-1-amine.
What is the SMILES notation for 4-fluoro-N-propyl-N-(pyrrolidin-2-ylmethyl)-2,3-dihydro-1H-inden-1-amine?
The canonical SMILES for 4-fluoro-N-propyl-N-(pyrrolidin-2-ylmethyl)-2,3-dihydro-1H-inden-1-amine is CCCN(CC1CCCN1)C1CCc2c(F)cccc21.
What is the InChIKey of 4-fluoro-N-propyl-N-(pyrrolidin-2-ylmethyl)-2,3-dihydro-1H-inden-1-amine?
The InChIKey is BFKNGKASTWQGNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25FN2/c1-2-11-20(12-13-5-4-10-19-13)17-9-8-14-15(17)6-3-7-16(14)18/h3,6-7,13,17,19H,2,4-5,8-12H2,1H3.
What are the key properties of 4-fluoro-N-propyl-N-(pyrrolidin-2-ylmethyl)-2,3-dihydro-1H-inden-1-amine?
4-fluoro-N-propyl-N-(pyrrolidin-2-ylmethyl)-2,3-dihydro-1H-inden-1-amine has a molecular weight of 276.40 g/mol, XLogP of 3.28, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-propyl-N-(pyrrolidin-2-ylmethyl)-2,3-dihydro-1H-inden-1-amine is sourced from PubChem (CID 106604082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).