1-[1-[(3,4-difluorophenyl)methyl]indol-6-yl]-N-methylmethanamine

C17H16F2N2 — CID 82926342

IUPAC1-[1-[(3,4-difluorophenyl)methyl]indol-6-yl]-N-methylmethanamine
SMILESCNCc1ccc2ccn(Cc3ccc(F)c(F)c3)c2c1
InChIInChI=1S/C17H16F2N2/c1-20-10-12-2-4-14-6-7-21(17(14)9-12)11-13-3-5-15(18)16(19)8-13/h2-9,20H,10-11H2,1H3
InChIKeyULYIBYQIFZILPH-UHFFFAOYSA-N
MW286.33 g/mol
LogP3.69
Rot. Bonds4

About 1-[1-[(3,4-difluorophenyl)methyl]indol-6-yl]-N-methylmethanamine

1-[1-[(3,4-difluorophenyl)methyl]indol-6-yl]-N-methylmethanamine (PubChem CID 82926342) has the molecular formula C17H16F2N2 and a molecular weight of 286.33 g/mol. Its IUPAC name is 1-[1-[(3,4-difluorophenyl)methyl]indol-6-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[1-[(3,4-difluorophenyl)methyl]indol-6-yl]-N-methylmethanamine
PubChem CID82926342
Molecular FormulaC17H16F2N2
Molecular Weight286.33 g/mol
Exact Mass286.13
IUPAC Name1-[1-[(3,4-difluorophenyl)methyl]indol-6-yl]-N-methylmethanamine
SMILESCNCc1ccc2ccn(Cc3ccc(F)c(F)c3)c2c1
InChIInChI=1S/C17H16F2N2/c1-20-10-12-2-4-14-6-7-21(17(14)9-12)11-13-3-5-15(18)16(19)8-13/h2-9,20H,10-11H2,1H3
InChIKeyULYIBYQIFZILPH-UHFFFAOYSA-N
XLogP3.69
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[1-[(3,4-difluorophenyl)methyl]indol-5-yl]-N-methylmethanamine
CID 82926335
6-chloro-1-[(3,4-difluorophenyl)methyl]indole
CID 116620611
2-[6-(methylaminomethyl)indol-1-yl]ethanol
CID 102916522
N-methyl-1-[1-(3-methylbut-3-enyl)indol-6-yl]methanamine
CID 114477146
1-[1-(2-ethylbutyl)indol-6-yl]-N-methylmethanamine
CID 82924593
N-methyl-1-[1-(1,2,4-oxadiazol-3-ylmethyl)indol-6-yl]methanamine
CID 102916629
N-methyl-1-[1-[(3-methylimidazol-4-yl)methyl]indol-6-yl]methanamine
CID 102916641
6-chloro-1-[(3-chloro-4-fluorophenyl)methyl]indole
CID 103041483
5-bromo-1-[(3,4-difluorophenyl)methyl]indole
CID 116619662
1-[(3-bromo-4-fluorophenyl)methyl]-6-chloroindole
CID 116620438
N-methyl-1-[1-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]indol-6-yl]methanamine
CID 102916609
1-[(3,4-difluorophenyl)methyl]-5-ethoxyindole
CID 116623901

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(3,4-difluorophenyl)methyl]indol-6-yl]-N-methylmethanamine?
The IUPAC name of 1-[1-[(3,4-difluorophenyl)methyl]indol-6-yl]-N-methylmethanamine (CID 82926342) is 1-[1-[(3,4-difluorophenyl)methyl]indol-6-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[1-[(3,4-difluorophenyl)methyl]indol-6-yl]-N-methylmethanamine?
The canonical SMILES for 1-[1-[(3,4-difluorophenyl)methyl]indol-6-yl]-N-methylmethanamine is CNCc1ccc2ccn(Cc3ccc(F)c(F)c3)c2c1.
What is the InChIKey of 1-[1-[(3,4-difluorophenyl)methyl]indol-6-yl]-N-methylmethanamine?
The InChIKey is ULYIBYQIFZILPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F2N2/c1-20-10-12-2-4-14-6-7-21(17(14)9-12)11-13-3-5-15(18)16(19)8-13/h2-9,20H,10-11H2,1H3.
What are the key properties of 1-[1-[(3,4-difluorophenyl)methyl]indol-6-yl]-N-methylmethanamine?
1-[1-[(3,4-difluorophenyl)methyl]indol-6-yl]-N-methylmethanamine has a molecular weight of 286.33 g/mol, XLogP of 3.69, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(3,4-difluorophenyl)methyl]indol-6-yl]-N-methylmethanamine is sourced from PubChem (CID 82926342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).