1-[3-[7-fluoro-2-(4-fluorophenyl)-5-methyl-1H-indol-3-yl]cyclobutyl]-N-methylmethanamine

C21H22F2N2 — CID 162389852

IUPAC1-[3-[7-fluoro-2-(4-fluorophenyl)-5-methyl-1H-indol-3-yl]cyclobutyl]-N-methylmethanamine
SMILESCNCC1CC(c2c(-c3ccc(F)cc3)[nH]c3c(F)cc(C)cc23)C1
InChIInChI=1S/C21H22F2N2/c1-12-7-17-19(15-9-13(10-15)11-24-2)20(25-21(17)18(23)8-12)14-3-5-16(22)6-4-14/h3-8,13,15,24-25H,9-11H2,1-2H3
InChIKeyMTEFGWJOFNHRSK-UHFFFAOYSA-N
MW340.42 g/mol
LogP5.13
Rot. Bonds4

About 1-[3-[7-fluoro-2-(4-fluorophenyl)-5-methyl-1H-indol-3-yl]cyclobutyl]-N-methylmethanamine

1-[3-[7-fluoro-2-(4-fluorophenyl)-5-methyl-1H-indol-3-yl]cyclobutyl]-N-methylmethanamine (PubChem CID 162389852) has the molecular formula C21H22F2N2 and a molecular weight of 340.42 g/mol. Its IUPAC name is 1-[3-[7-fluoro-2-(4-fluorophenyl)-5-methyl-1H-indol-3-yl]cyclobutyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[3-[7-fluoro-2-(4-fluorophenyl)-5-methyl-1H-indol-3-yl]cyclobutyl]-N-methylmethanamine
PubChem CID162389852
Molecular FormulaC21H22F2N2
Molecular Weight340.42 g/mol
Exact Mass340.18
IUPAC Name1-[3-[7-fluoro-2-(4-fluorophenyl)-5-methyl-1H-indol-3-yl]cyclobutyl]-N-methylmethanamine
SMILESCNCC1CC(c2c(-c3ccc(F)cc3)[nH]c3c(F)cc(C)cc23)C1
InChIInChI=1S/C21H22F2N2/c1-12-7-17-19(15-9-13(10-15)11-24-2)20(25-21(17)18(23)8-12)14-3-5-16(22)6-4-14/h3-8,13,15,24-25H,9-11H2,1-2H3
InChIKeyMTEFGWJOFNHRSK-UHFFFAOYSA-N
XLogP5.13
TPSA27.82 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.42
LogP ≤ 55.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

(2S)-N-[[3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]cyclobutyl]methyl]-2-hydroxypropanamide
CID 162389653
(2R)-N-[[3-[5,7-difluoro-2-(4-methylphenyl)-1H-indol-3-yl]cyclobutyl]methyl]-2-methoxypropanamide
CID 162389513
N-[[3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]cyclobutyl]methyl]cyclobutanamine
CID 162389562
(2R)-N-[[3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]cyclobutyl]methyl]-2-methoxypropanamide
CID 166579586
2-[[3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]cyclobutyl]methylamino]-2-(hydroxymethyl)propane-1,3-diol
CID 162389556
N-[[3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]cyclobutyl]methyl]-2-hydroxy-3-methylbutanamide
CID 162390081
(3R)-N-[[3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]cyclobutyl]methyl]oxolan-3-amine
CID 166579488
(2S)-2-acetamido-N-[[3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]cyclobutyl]methyl]-3-hydroxypropanamide
CID 166579563
N-[[3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]cyclobutyl]methyl]-2-(methanesulfonamido)propanamide
CID 166579513
1-[[3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]cyclobutyl]methyl]-3-(2-hydroxyethyl)urea
CID 156816001
3-[[3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]cyclobutyl]methyl]-1-(1-hydroxypropan-2-yl)-1-methylurea
CID 156816020
1-[[3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]cyclobutyl]methyl]-3-(3-hydroxycyclobutyl)urea
CID 166008677

Frequently Asked Questions

What is the IUPAC name of 1-[3-[7-fluoro-2-(4-fluorophenyl)-5-methyl-1H-indol-3-yl]cyclobutyl]-N-methylmethanamine?
The IUPAC name of 1-[3-[7-fluoro-2-(4-fluorophenyl)-5-methyl-1H-indol-3-yl]cyclobutyl]-N-methylmethanamine (CID 162389852) is 1-[3-[7-fluoro-2-(4-fluorophenyl)-5-methyl-1H-indol-3-yl]cyclobutyl]-N-methylmethanamine.
What is the SMILES notation for 1-[3-[7-fluoro-2-(4-fluorophenyl)-5-methyl-1H-indol-3-yl]cyclobutyl]-N-methylmethanamine?
The canonical SMILES for 1-[3-[7-fluoro-2-(4-fluorophenyl)-5-methyl-1H-indol-3-yl]cyclobutyl]-N-methylmethanamine is CNCC1CC(c2c(-c3ccc(F)cc3)[nH]c3c(F)cc(C)cc23)C1.
What is the InChIKey of 1-[3-[7-fluoro-2-(4-fluorophenyl)-5-methyl-1H-indol-3-yl]cyclobutyl]-N-methylmethanamine?
The InChIKey is MTEFGWJOFNHRSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22F2N2/c1-12-7-17-19(15-9-13(10-15)11-24-2)20(25-21(17)18(23)8-12)14-3-5-16(22)6-4-14/h3-8,13,15,24-25H,9-11H2,1-2H3.
What are the key properties of 1-[3-[7-fluoro-2-(4-fluorophenyl)-5-methyl-1H-indol-3-yl]cyclobutyl]-N-methylmethanamine?
1-[3-[7-fluoro-2-(4-fluorophenyl)-5-methyl-1H-indol-3-yl]cyclobutyl]-N-methylmethanamine has a molecular weight of 340.42 g/mol, XLogP of 5.13, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[7-fluoro-2-(4-fluorophenyl)-5-methyl-1H-indol-3-yl]cyclobutyl]-N-methylmethanamine is sourced from PubChem (CID 162389852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).