[3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-1-methylcyclobutyl]methanamine;ethane

C22H25F3N2 — CID 162390156

IUPAC[3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-1-methylcyclobutyl]methanamine;ethane
SMILESCC.CC1(CN)CC(c2c(-c3ccc(F)cc3)[nH]c3c(F)cc(F)cc23)C1
InChIInChI=1S/C20H19F3N2.C2H6/c1-20(10-24)8-12(9-20)17-15-6-14(22)7-16(23)19(15)25-18(17)11-2-4-13(21)5-3-11;1-2/h2-7,12,25H,8-10,24H2,1H3;1-2H3
InChIKeyHIYBHYIMCNGINV-UHFFFAOYSA-N
MW374.45 g/mol
LogP6.12
Rot. Bonds3

About [3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-1-methylcyclobutyl]methanamine;ethane

[3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-1-methylcyclobutyl]methanamine;ethane (PubChem CID 162390156) has the molecular formula C22H25F3N2 and a molecular weight of 374.45 g/mol. Its IUPAC name is [3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-1-methylcyclobutyl]methanamine;ethane.

Molecular Properties

Compound Name[3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-1-methylcyclobutyl]methanamine;ethane
PubChem CID162390156
Molecular FormulaC22H25F3N2
Molecular Weight374.45 g/mol
Exact Mass374.20
IUPAC Name[3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-1-methylcyclobutyl]methanamine;ethane
SMILESCC.CC1(CN)CC(c2c(-c3ccc(F)cc3)[nH]c3c(F)cc(F)cc23)C1
InChIInChI=1S/C20H19F3N2.C2H6/c1-20(10-24)8-12(9-20)17-15-6-14(22)7-16(23)19(15)25-18(17)11-2-4-13(21)5-3-11;1-2/h2-7,12,25H,8-10,24H2,1H3;1-2H3
InChIKeyHIYBHYIMCNGINV-UHFFFAOYSA-N
XLogP6.12
TPSA41.81 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.45
LogP ≤ 56.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

N-[[3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-1-hydroxycyclobutyl]methyl]acetamide
CID 162389938
[3-[2-(4-chlorophenyl)-5,7-difluoro-1H-indol-3-yl]cyclobutyl]methanamine
CID 162389639
3-cyclobutyl-5,7-difluoro-2-(4-fluorophenyl)-1H-indole;ethane;N-(methylaminosulfanyl)methanamine
CID 162389804
3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]cyclobutane-1-carboxylic acid
CID 156815718
3-cyclobutyl-5,7-difluoro-2-(4-fluorophenyl)-1H-indole;ethane;3-methoxypropanamide
CID 162390138
3-cyclobutyl-5,7-difluoro-2-(4-fluorophenyl)-1H-indole;2-hydroxy-2-methylpropanamide
CID 162389469
[3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]cyclobutyl] carbamate
CID 162389976
2-[[3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]cyclobutyl]amino]acetamide
CID 156815991
3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-N-[3,3-difluoro-1-(hydroxymethyl)cyclobutyl]cyclobutane-1-carboxamide
CID 156816367
3-cyclobutyl-5,7-difluoro-2-(4-fluorophenyl)-1H-indole;ethane;ethylurea;formamide
CID 162390084
3-cyclobutyl-5,7-difluoro-2-(4-fluorophenyl)-1H-indole;2,3-dihydroxypropanamide
CID 162389811
butane-1,3-diol;3-cyclobutyl-5,7-difluoro-2-(4-fluorophenyl)-1H-indole;formaldehyde;methanamine
CID 156815753

Frequently Asked Questions

What is the IUPAC name of [3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-1-methylcyclobutyl]methanamine;ethane?
The IUPAC name of [3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-1-methylcyclobutyl]methanamine;ethane (CID 162390156) is [3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-1-methylcyclobutyl]methanamine;ethane.
What is the SMILES notation for [3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-1-methylcyclobutyl]methanamine;ethane?
The canonical SMILES for [3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-1-methylcyclobutyl]methanamine;ethane is CC.CC1(CN)CC(c2c(-c3ccc(F)cc3)[nH]c3c(F)cc(F)cc23)C1.
What is the InChIKey of [3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-1-methylcyclobutyl]methanamine;ethane?
The InChIKey is HIYBHYIMCNGINV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F3N2.C2H6/c1-20(10-24)8-12(9-20)17-15-6-14(22)7-16(23)19(15)25-18(17)11-2-4-13(21)5-3-11;1-2/h2-7,12,25H,8-10,24H2,1H3;1-2H3.
What are the key properties of [3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-1-methylcyclobutyl]methanamine;ethane?
[3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-1-methylcyclobutyl]methanamine;ethane has a molecular weight of 374.45 g/mol, XLogP of 6.12, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-1-methylcyclobutyl]methanamine;ethane is sourced from PubChem (CID 162390156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).