[2-ethyl-6-(2-fluoro-1,2-dihydropyridin-5-yl)-1-methyl-2,3,6,7-tetrahydroindol-3-yl]methanamine

C17H24FN3 — CID 134581918

IUPAC[2-ethyl-6-(2-fluoro-1,2-dihydropyridin-5-yl)-1-methyl-2,3,6,7-tetrahydroindol-3-yl]methanamine
SMILESCCC1C(CN)C2=C(CC(C3=CNC(F)C=C3)C=C2)N1C
InChIInChI=1S/C17H24FN3/c1-3-15-14(9-19)13-6-4-11(8-16(13)21(15)2)12-5-7-17(18)20-10-12/h4-7,10-11,14-15,17,20H,3,8-9,19H2,1-2H3
InChIKeyGWCPEYUHZMMDGJ-UHFFFAOYSA-N
MW289.40 g/mol
LogP2.45
Rot. Bonds3

About [2-ethyl-6-(2-fluoro-1,2-dihydropyridin-5-yl)-1-methyl-2,3,6,7-tetrahydroindol-3-yl]methanamine

[2-ethyl-6-(2-fluoro-1,2-dihydropyridin-5-yl)-1-methyl-2,3,6,7-tetrahydroindol-3-yl]methanamine (PubChem CID 134581918) has the molecular formula C17H24FN3 and a molecular weight of 289.40 g/mol. Its IUPAC name is [2-ethyl-6-(2-fluoro-1,2-dihydropyridin-5-yl)-1-methyl-2,3,6,7-tetrahydroindol-3-yl]methanamine.

Molecular Properties

Compound Name[2-ethyl-6-(2-fluoro-1,2-dihydropyridin-5-yl)-1-methyl-2,3,6,7-tetrahydroindol-3-yl]methanamine
PubChem CID134581918
Molecular FormulaC17H24FN3
Molecular Weight289.40 g/mol
Exact Mass289.20
IUPAC Name[2-ethyl-6-(2-fluoro-1,2-dihydropyridin-5-yl)-1-methyl-2,3,6,7-tetrahydroindol-3-yl]methanamine
SMILESCCC1C(CN)C2=C(CC(C3=CNC(F)C=C3)C=C2)N1C
InChIInChI=1S/C17H24FN3/c1-3-15-14(9-19)13-6-4-11(8-16(13)21(15)2)12-5-7-17(18)20-10-12/h4-7,10-11,14-15,17,20H,3,8-9,19H2,1-2H3
InChIKeyGWCPEYUHZMMDGJ-UHFFFAOYSA-N
XLogP2.45
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.40
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

3-ethyl-5-fluoro-3a,7a-dihydro-1H-indole
CID 59950841
8-fluoro-2,3,4,5,5a,9a-hexahydro-1H-pyrido[4,3-b]indole
CID 69754642
2-(5-fluoro-3a,7a-dihydro-1H-indol-3-yl)ethanamine
CID 70300942
10-fluoro-4,6a,7,10,11,11b-hexahydro-3H-benzo[c]carbazole
CID 70809943
5-fluoro-3-[(1-methylpiperidin-4-yl)methyl]-3a,7a-dihydro-1H-indole
CID 70921115
(2R,3S)-4-cyclohexa-1,5-dien-1-yl-1-N-[(Z)-2-(4-fluorocyclohex-3-en-1-yl)ethenyl]-1-N-methylbutane-1,2,3-triamine
CID 88266533
N-[(5Z,6E)-3-[(E)-6-amino-6-fluoro-5-methylhex-5-en-3-yl]-6-(aminomethylidene)-5-prop-2-enylidenecyclohexa-1,3-dien-1-yl]piperidin-4-amine
CID 89085395
N-[(5Z,6E)-6-(aminomethylidene)-3-[5-(fluoromethyl)-1,2,3,4-tetrahydropyridin-3-yl]-5-prop-2-enylidenecyclohexa-1,3-dien-1-yl]piperidin-4-amine
CID 89085543
N-[(5Z,6E)-3-[(Z)-2-amino-1,1-difluorohept-2-en-4-yl]-6-(aminomethylidene)-5-prop-2-enylidenecyclohexa-1,3-dien-1-yl]piperidin-4-amine
CID 89085563
1-N-(3,3-difluorobutan-2-yl)-1,2,8,8a-tetrahydronaphthalene-1,8-diamine
CID 89636877
(E)-N-ethyl-1-[(2S,6S)-6-[(2R)-2-fluoro-1,2-dihydropyridin-5-yl]-3-methylidene-2,6-dihydro-1H-pyridin-2-yl]-N-methylbut-2-en-2-amine
CID 89789243
(4S)-4-fluoro-5-methyl-N-(2-methylcyclopenten-1-yl)cyclohex-2-en-1-amine
CID 118616262

Frequently Asked Questions

What is the IUPAC name of [2-ethyl-6-(2-fluoro-1,2-dihydropyridin-5-yl)-1-methyl-2,3,6,7-tetrahydroindol-3-yl]methanamine?
The IUPAC name of [2-ethyl-6-(2-fluoro-1,2-dihydropyridin-5-yl)-1-methyl-2,3,6,7-tetrahydroindol-3-yl]methanamine (CID 134581918) is [2-ethyl-6-(2-fluoro-1,2-dihydropyridin-5-yl)-1-methyl-2,3,6,7-tetrahydroindol-3-yl]methanamine.
What is the SMILES notation for [2-ethyl-6-(2-fluoro-1,2-dihydropyridin-5-yl)-1-methyl-2,3,6,7-tetrahydroindol-3-yl]methanamine?
The canonical SMILES for [2-ethyl-6-(2-fluoro-1,2-dihydropyridin-5-yl)-1-methyl-2,3,6,7-tetrahydroindol-3-yl]methanamine is CCC1C(CN)C2=C(CC(C3=CNC(F)C=C3)C=C2)N1C.
What is the InChIKey of [2-ethyl-6-(2-fluoro-1,2-dihydropyridin-5-yl)-1-methyl-2,3,6,7-tetrahydroindol-3-yl]methanamine?
The InChIKey is GWCPEYUHZMMDGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24FN3/c1-3-15-14(9-19)13-6-4-11(8-16(13)21(15)2)12-5-7-17(18)20-10-12/h4-7,10-11,14-15,17,20H,3,8-9,19H2,1-2H3.
What are the key properties of [2-ethyl-6-(2-fluoro-1,2-dihydropyridin-5-yl)-1-methyl-2,3,6,7-tetrahydroindol-3-yl]methanamine?
[2-ethyl-6-(2-fluoro-1,2-dihydropyridin-5-yl)-1-methyl-2,3,6,7-tetrahydroindol-3-yl]methanamine has a molecular weight of 289.40 g/mol, XLogP of 2.45, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-ethyl-6-(2-fluoro-1,2-dihydropyridin-5-yl)-1-methyl-2,3,6,7-tetrahydroindol-3-yl]methanamine is sourced from PubChem (CID 134581918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).