1-(3-fluoro-4-pyridinyl)-2-methyl-4,5,6,7-tetrahydroindol-4-amine

C14H16FN3 — CID 107595389

IUPAC1-(3-fluoro-4-pyridinyl)-2-methyl-4,5,6,7-tetrahydroindol-4-amine
SMILESCc1cc2c(n1-c1ccncc1F)CCCC2N
InChIInChI=1S/C14H16FN3/c1-9-7-10-12(16)3-2-4-13(10)18(9)14-5-6-17-8-11(14)15/h5-8,12H,2-4,16H2,1H3
InChIKeyYFPUXKDGYQLINX-UHFFFAOYSA-N
MW245.30 g/mol
LogP2.66
Rot. Bonds1

About 1-(3-fluoro-4-pyridinyl)-2-methyl-4,5,6,7-tetrahydroindol-4-amine

1-(3-fluoro-4-pyridinyl)-2-methyl-4,5,6,7-tetrahydroindol-4-amine (PubChem CID 107595389) has the molecular formula C14H16FN3 and a molecular weight of 245.30 g/mol. Its IUPAC name is 1-(3-fluoro-4-pyridinyl)-2-methyl-4,5,6,7-tetrahydroindol-4-amine.

Molecular Properties

Compound Name1-(3-fluoro-4-pyridinyl)-2-methyl-4,5,6,7-tetrahydroindol-4-amine
PubChem CID107595389
Molecular FormulaC14H16FN3
Molecular Weight245.30 g/mol
Exact Mass245.13
IUPAC Name1-(3-fluoro-4-pyridinyl)-2-methyl-4,5,6,7-tetrahydroindol-4-amine
SMILESCc1cc2c(n1-c1ccncc1F)CCCC2N
InChIInChI=1S/C14H16FN3/c1-9-7-10-12(16)3-2-4-13(10)18(9)14-5-6-17-8-11(14)15/h5-8,12H,2-4,16H2,1H3
InChIKeyYFPUXKDGYQLINX-UHFFFAOYSA-N
XLogP2.66
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.30
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-1-(3,4,5-trifluorophenyl)-4,5,6,7-tetrahydroindol-4-amine
CID 62812766
2-methyl-1-(2,4,6-trimethylphenyl)-4,5,6,7-tetrahydroindol-4-amine
CID 63466077
1-(2-chloro-4-iodophenyl)-2-methyl-4,5,6,7-tetrahydroindol-4-amine
CID 107605988
1-(5-bromo-3-methyl-2-pyridinyl)-2-methyl-4,5,6,7-tetrahydroindol-4-amine
CID 83170015
1-[3-(dimethylamino)phenyl]-2-methyl-4,5,6,7-tetrahydroindol-4-amine
CID 115379081
2-methyl-1-(3-propan-2-ylphenyl)-4,5,6,7-tetrahydroindol-4-amine
CID 63466097
2-methyl-1-(4-propoxyphenyl)-4,5,6,7-tetrahydroindol-4-amine
CID 62328356
(4S)-1-(2-fluorophenyl)-4,5,6,7-tetrahydroindazol-4-amine
CID 96730162
1-(3-cyclopentylpropyl)-2-methyl-4,5,6,7-tetrahydroindol-4-amine
CID 106008312
1-[2-(2,2-difluoroethoxy)ethyl]-2-methyl-4,5,6,7-tetrahydroindol-4-amine
CID 114128441
1-(5-bromo-4-fluoro-2-methylphenyl)-4,5,6,7-tetrahydroindol-4-amine
CID 107593886
2-methyl-1-(oxolan-3-yl)-4,5,6,7-tetrahydroindol-4-amine
CID 80715831

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoro-4-pyridinyl)-2-methyl-4,5,6,7-tetrahydroindol-4-amine?
The IUPAC name of 1-(3-fluoro-4-pyridinyl)-2-methyl-4,5,6,7-tetrahydroindol-4-amine (CID 107595389) is 1-(3-fluoro-4-pyridinyl)-2-methyl-4,5,6,7-tetrahydroindol-4-amine.
What is the SMILES notation for 1-(3-fluoro-4-pyridinyl)-2-methyl-4,5,6,7-tetrahydroindol-4-amine?
The canonical SMILES for 1-(3-fluoro-4-pyridinyl)-2-methyl-4,5,6,7-tetrahydroindol-4-amine is Cc1cc2c(n1-c1ccncc1F)CCCC2N.
What is the InChIKey of 1-(3-fluoro-4-pyridinyl)-2-methyl-4,5,6,7-tetrahydroindol-4-amine?
The InChIKey is YFPUXKDGYQLINX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FN3/c1-9-7-10-12(16)3-2-4-13(10)18(9)14-5-6-17-8-11(14)15/h5-8,12H,2-4,16H2,1H3.
What are the key properties of 1-(3-fluoro-4-pyridinyl)-2-methyl-4,5,6,7-tetrahydroindol-4-amine?
1-(3-fluoro-4-pyridinyl)-2-methyl-4,5,6,7-tetrahydroindol-4-amine has a molecular weight of 245.30 g/mol, XLogP of 2.66, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoro-4-pyridinyl)-2-methyl-4,5,6,7-tetrahydroindol-4-amine is sourced from PubChem (CID 107595389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).