[1-cyclopropyl-3-(6-fluoro-2,3-dihydroindol-1-yl)pyrrolidin-3-yl]methanamine

C16H22FN3 — CID 103494411

IUPAC[1-cyclopropyl-3-(6-fluoro-2,3-dihydroindol-1-yl)pyrrolidin-3-yl]methanamine
SMILESNCC1(N2CCc3ccc(F)cc32)CCN(C2CC2)C1
InChIInChI=1S/C16H22FN3/c17-13-2-1-12-5-7-20(15(12)9-13)16(10-18)6-8-19(11-16)14-3-4-14/h1-2,9,14H,3-8,10-11,18H2
InChIKeyGEVOHBOUACYXDX-UHFFFAOYSA-N
MW275.37 g/mol
LogP1.75
Rot. Bonds3

About [1-cyclopropyl-3-(6-fluoro-2,3-dihydroindol-1-yl)pyrrolidin-3-yl]methanamine

[1-cyclopropyl-3-(6-fluoro-2,3-dihydroindol-1-yl)pyrrolidin-3-yl]methanamine (PubChem CID 103494411) has the molecular formula C16H22FN3 and a molecular weight of 275.37 g/mol. Its IUPAC name is [1-cyclopropyl-3-(6-fluoro-2,3-dihydroindol-1-yl)pyrrolidin-3-yl]methanamine.

Molecular Properties

Compound Name[1-cyclopropyl-3-(6-fluoro-2,3-dihydroindol-1-yl)pyrrolidin-3-yl]methanamine
PubChem CID103494411
Molecular FormulaC16H22FN3
Molecular Weight275.37 g/mol
Exact Mass275.18
IUPAC Name[1-cyclopropyl-3-(6-fluoro-2,3-dihydroindol-1-yl)pyrrolidin-3-yl]methanamine
SMILESNCC1(N2CCc3ccc(F)cc32)CCN(C2CC2)C1
InChIInChI=1S/C16H22FN3/c17-13-2-1-12-5-7-20(15(12)9-13)16(10-18)6-8-19(11-16)14-3-4-14/h1-2,9,14H,3-8,10-11,18H2
InChIKeyGEVOHBOUACYXDX-UHFFFAOYSA-N
XLogP1.75
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.37
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(6-fluoro-2,3-dihydroindol-1-yl)-3-propan-2-ylcyclohexyl]methanamine
CID 107449256
[1-(6-fluoro-2,3-dihydroindol-1-yl)-3,3,5-trimethylcyclohexyl]methanamine
CID 103494505
[3-(6-fluoro-2,3-dihydroindol-1-yl)-2-methyloxolan-3-yl]methanamine
CID 103494393
[3-(azepan-1-yl)-1-cyclopropylpyrrolidin-3-yl]methanamine
CID 62976371
[1-(aminomethyl)-4-methylcyclohexyl]-(6-fluoro-2,3-dihydroindol-1-yl)methanone
CID 103495287
[1-(2,3-dihydroindol-1-yl)-4-(trifluoromethyl)cyclohexyl]methanamine
CID 64755891
1-cyclopropyl-3-(5-fluoro-2-methylphenyl)pyrrolidin-3-ol
CID 62975984
(9-fluoro-2,3,4,4a,5,6-hexahydro-1H-benzo[c]quinolizin-2-yl)methanamine
CID 105494822
[1-(2,3-dihydroindol-1-yl)-3-methylcyclopentyl]methanamine
CID 64501563
[1-cyclopropyl-3-(4-ethylpiperidin-1-yl)pyrrolidin-3-yl]methanamine
CID 62975832
2-[(6-fluoro-2,3-dihydroindol-1-yl)sulfonyl]ethanamine
CID 103495195
[3-(2-cyclopentylpyrrolidin-1-yl)-1-cyclopropylpyrrolidin-3-yl]methanamine
CID 62977325

Frequently Asked Questions

What is the IUPAC name of [1-cyclopropyl-3-(6-fluoro-2,3-dihydroindol-1-yl)pyrrolidin-3-yl]methanamine?
The IUPAC name of [1-cyclopropyl-3-(6-fluoro-2,3-dihydroindol-1-yl)pyrrolidin-3-yl]methanamine (CID 103494411) is [1-cyclopropyl-3-(6-fluoro-2,3-dihydroindol-1-yl)pyrrolidin-3-yl]methanamine.
What is the SMILES notation for [1-cyclopropyl-3-(6-fluoro-2,3-dihydroindol-1-yl)pyrrolidin-3-yl]methanamine?
The canonical SMILES for [1-cyclopropyl-3-(6-fluoro-2,3-dihydroindol-1-yl)pyrrolidin-3-yl]methanamine is NCC1(N2CCc3ccc(F)cc32)CCN(C2CC2)C1.
What is the InChIKey of [1-cyclopropyl-3-(6-fluoro-2,3-dihydroindol-1-yl)pyrrolidin-3-yl]methanamine?
The InChIKey is GEVOHBOUACYXDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22FN3/c17-13-2-1-12-5-7-20(15(12)9-13)16(10-18)6-8-19(11-16)14-3-4-14/h1-2,9,14H,3-8,10-11,18H2.
What are the key properties of [1-cyclopropyl-3-(6-fluoro-2,3-dihydroindol-1-yl)pyrrolidin-3-yl]methanamine?
[1-cyclopropyl-3-(6-fluoro-2,3-dihydroindol-1-yl)pyrrolidin-3-yl]methanamine has a molecular weight of 275.37 g/mol, XLogP of 1.75, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-cyclopropyl-3-(6-fluoro-2,3-dihydroindol-1-yl)pyrrolidin-3-yl]methanamine is sourced from PubChem (CID 103494411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).