3-(cyclopropylmethyl)-4-fluoro-1,2-dimethylindole

C14H16FN — CID 143750031

IUPAC3-(cyclopropylmethyl)-4-fluoro-1,2-dimethylindole
SMILESCc1c(CC2CC2)c2c(F)cccc2n1C
InChIInChI=1S/C14H16FN/c1-9-11(8-10-6-7-10)14-12(15)4-3-5-13(14)16(9)2/h3-5,10H,6-8H2,1-2H3
InChIKeyAJPROLZQJKQDES-UHFFFAOYSA-N
MW217.29 g/mol
LogP3.58
Rot. Bonds2

About 3-(cyclopropylmethyl)-4-fluoro-1,2-dimethylindole

3-(cyclopropylmethyl)-4-fluoro-1,2-dimethylindole (PubChem CID 143750031) has the molecular formula C14H16FN and a molecular weight of 217.29 g/mol. Its IUPAC name is 3-(cyclopropylmethyl)-4-fluoro-1,2-dimethylindole.

Molecular Properties

Compound Name3-(cyclopropylmethyl)-4-fluoro-1,2-dimethylindole
PubChem CID143750031
Molecular FormulaC14H16FN
Molecular Weight217.29 g/mol
Exact Mass217.13
IUPAC Name3-(cyclopropylmethyl)-4-fluoro-1,2-dimethylindole
SMILESCc1c(CC2CC2)c2c(F)cccc2n1C
InChIInChI=1S/C14H16FN/c1-9-11(8-10-6-7-10)14-12(15)4-3-5-13(14)16(9)2/h3-5,10H,6-8H2,1-2H3
InChIKeyAJPROLZQJKQDES-UHFFFAOYSA-N
XLogP3.58
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.29
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-bromo-4-fluoro-1,2-dimethylindole
CID 84703117
1,3-difluoro-2-[(4-methylcyclohexyl)methyl]benzene;ethane
CID 143149652
4-ethyl-1,2,3-trimethylindole
CID 118253289
3-[5-(cyclopropylmethyl)triazol-1-yl]-6-fluoro-4-methylimidazo[1,5-a]quinazolin-5-one
CID 67886380
6-fluoro-1,2-dimethyl-3-(pyrrolidin-3-ylmethyl)indole
CID 84632400
7-fluoro-1,2-dimethyl-3-(piperidin-2-ylmethyl)indole
CID 84638279
7-chloro-1,2-dimethyl-3-(piperidin-4-ylmethyl)indole
CID 98034395
3-(cyclopropylmethyl)-8-fluoro-2-phenylisoquinolin-1-one
CID 142525296
2-fluoro-6-[(1-methylpiperidin-4-yl)methyl]aniline
CID 105479556
2-(cyclopropylmethylsulfanyl)-5-fluoro-3-methylquinazolin-4-one
CID 131704140
3-[(4-benzylpiperidin-1-yl)methyl]-1,2-dimethylquinolin-4-one
CID 23768353
5-fluoro-3-(2-hydroxyethyl)-1-methylquinazoline-2,4-dione
CID 117262049

Frequently Asked Questions

What is the IUPAC name of 3-(cyclopropylmethyl)-4-fluoro-1,2-dimethylindole?
The IUPAC name of 3-(cyclopropylmethyl)-4-fluoro-1,2-dimethylindole (CID 143750031) is 3-(cyclopropylmethyl)-4-fluoro-1,2-dimethylindole.
What is the SMILES notation for 3-(cyclopropylmethyl)-4-fluoro-1,2-dimethylindole?
The canonical SMILES for 3-(cyclopropylmethyl)-4-fluoro-1,2-dimethylindole is Cc1c(CC2CC2)c2c(F)cccc2n1C.
What is the InChIKey of 3-(cyclopropylmethyl)-4-fluoro-1,2-dimethylindole?
The InChIKey is AJPROLZQJKQDES-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FN/c1-9-11(8-10-6-7-10)14-12(15)4-3-5-13(14)16(9)2/h3-5,10H,6-8H2,1-2H3.
What are the key properties of 3-(cyclopropylmethyl)-4-fluoro-1,2-dimethylindole?
3-(cyclopropylmethyl)-4-fluoro-1,2-dimethylindole has a molecular weight of 217.29 g/mol, XLogP of 3.58, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopropylmethyl)-4-fluoro-1,2-dimethylindole is sourced from PubChem (CID 143750031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).