(6-fluoro-1-methyl-2,3-dihydroindol-3-yl)methanamine

C10H13FN2 — CID 82277185

IUPAC(6-fluoro-1-methyl-2,3-dihydroindol-3-yl)methanamine
SMILESCN1CC(CN)c2ccc(F)cc21
InChIInChI=1S/C10H13FN2/c1-13-6-7(5-12)9-3-2-8(11)4-10(9)13/h2-4,7H,5-6,12H2,1H3
InChIKeyXBPCTCVMUMRPCU-UHFFFAOYSA-N
MW180.23 g/mol
LogP1.32
Rot. Bonds1

About (6-fluoro-1-methyl-2,3-dihydroindol-3-yl)methanamine

(6-fluoro-1-methyl-2,3-dihydroindol-3-yl)methanamine (PubChem CID 82277185) has the molecular formula C10H13FN2 and a molecular weight of 180.23 g/mol. Its IUPAC name is (6-fluoro-1-methyl-2,3-dihydroindol-3-yl)methanamine.

Molecular Properties

Compound Name(6-fluoro-1-methyl-2,3-dihydroindol-3-yl)methanamine
PubChem CID82277185
Molecular FormulaC10H13FN2
Molecular Weight180.23 g/mol
Exact Mass180.11
IUPAC Name(6-fluoro-1-methyl-2,3-dihydroindol-3-yl)methanamine
SMILESCN1CC(CN)c2ccc(F)cc21
InChIInChI=1S/C10H13FN2/c1-13-6-7(5-12)9-3-2-8(11)4-10(9)13/h2-4,7H,5-6,12H2,1H3
InChIKeyXBPCTCVMUMRPCU-UHFFFAOYSA-N
XLogP1.32
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.23
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1-ethyl-6-fluoro-2,3-dihydroindol-3-yl)methanamine
CID 82277196
6-fluoro-1-methyl-3-[[(3R)-piperidin-3-yl]methyl]-2,3-dihydroindole
CID 176570034
(5-fluoro-1-propan-2-yl-2,3-dihydroindol-3-yl)methanamine
CID 83861224
4-(aminomethyl)-2-ethyl-7-fluoro-3,4-dihydroisoquinolin-1-one
CID 82127868
4-(2-aminoethyl)-7-fluoro-1-methyl-3,4-dihydroquinolin-2-one
CID 84624080
(1,7-dimethyl-2,3-dihydroindol-3-yl)methanamine
CID 82276793
(3S)-3-(aminomethyl)-6-fluoro-2-methyl-3H-isoindol-1-one
CID 125454965
[(7S)-4-fluoro-7-bicyclo[4.2.0]octa-1(6),2,4-trienyl]methanamine
CID 98041428
6-fluoro-1,3-dimethyl-3,4-dihydro-2H-quinoline
CID 139326271
2-ethyl-6-fluoro-4-methyl-2,3-dihydro-1H-quinoxaline
CID 84619292
(4,6-dichloro-1-methyl-2,3-dihydroindol-3-yl)methanamine
CID 83868753
(6-fluoro-2,3-dihydro-1H-inden-1-yl)methanamine
CID 82074741

Frequently Asked Questions

What is the IUPAC name of (6-fluoro-1-methyl-2,3-dihydroindol-3-yl)methanamine?
The IUPAC name of (6-fluoro-1-methyl-2,3-dihydroindol-3-yl)methanamine (CID 82277185) is (6-fluoro-1-methyl-2,3-dihydroindol-3-yl)methanamine.
What is the SMILES notation for (6-fluoro-1-methyl-2,3-dihydroindol-3-yl)methanamine?
The canonical SMILES for (6-fluoro-1-methyl-2,3-dihydroindol-3-yl)methanamine is CN1CC(CN)c2ccc(F)cc21.
What is the InChIKey of (6-fluoro-1-methyl-2,3-dihydroindol-3-yl)methanamine?
The InChIKey is XBPCTCVMUMRPCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13FN2/c1-13-6-7(5-12)9-3-2-8(11)4-10(9)13/h2-4,7H,5-6,12H2,1H3.
What are the key properties of (6-fluoro-1-methyl-2,3-dihydroindol-3-yl)methanamine?
(6-fluoro-1-methyl-2,3-dihydroindol-3-yl)methanamine has a molecular weight of 180.23 g/mol, XLogP of 1.32, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6-fluoro-1-methyl-2,3-dihydroindol-3-yl)methanamine is sourced from PubChem (CID 82277185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).