2-[4-[(3-chlorophenyl)methoxy]-5-fluoro-1-methylindol-3-yl]-N-methylethanamine

C19H20ClFN2O — CID 50997397

IUPAC2-[4-[(3-chlorophenyl)methoxy]-5-fluoro-1-methylindol-3-yl]-N-methylethanamine
SMILESCNCCc1cn(C)c2ccc(F)c(OCc3cccc(Cl)c3)c12
InChIInChI=1S/C19H20ClFN2O/c1-22-9-8-14-11-23(2)17-7-6-16(21)19(18(14)17)24-12-13-4-3-5-15(20)10-13/h3-7,10-11,22H,8-9,12H2,1-2H3
InChIKeyNYOFFVBQAHWQOX-UHFFFAOYSA-N
MW346.83 g/mol
LogP4.31
Rot. Bonds6

About 2-[4-[(3-chlorophenyl)methoxy]-5-fluoro-1-methylindol-3-yl]-N-methylethanamine

2-[4-[(3-chlorophenyl)methoxy]-5-fluoro-1-methylindol-3-yl]-N-methylethanamine (PubChem CID 50997397) has the molecular formula C19H20ClFN2O and a molecular weight of 346.83 g/mol. Its IUPAC name is 2-[4-[(3-chlorophenyl)methoxy]-5-fluoro-1-methylindol-3-yl]-N-methylethanamine.

Molecular Properties

Compound Name2-[4-[(3-chlorophenyl)methoxy]-5-fluoro-1-methylindol-3-yl]-N-methylethanamine
PubChem CID50997397
Molecular FormulaC19H20ClFN2O
Molecular Weight346.83 g/mol
Exact Mass346.12
IUPAC Name2-[4-[(3-chlorophenyl)methoxy]-5-fluoro-1-methylindol-3-yl]-N-methylethanamine
SMILESCNCCc1cn(C)c2ccc(F)c(OCc3cccc(Cl)c3)c12
InChIInChI=1S/C19H20ClFN2O/c1-22-9-8-14-11-23(2)17-7-6-16(21)19(18(14)17)24-12-13-4-3-5-15(20)10-13/h3-7,10-11,22H,8-9,12H2,1-2H3
InChIKeyNYOFFVBQAHWQOX-UHFFFAOYSA-N
XLogP4.31
TPSA26.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.83
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-[(4-chlorophenyl)methoxy]-6-fluoro-1-methylindol-3-yl]-N-methylethanamine
CID 50997395
ethane;5-fluoro-1-methyl-4-phenylmethoxy-3-propylindole
CID 123524906
3-[2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl]-5-fluoro-4-methoxy-1-methylindole
CID 58303851
2-[(3-chlorophenyl)methoxy]-3-fluoroaniline
CID 104831215
N-[(3,4-dimethoxyphenyl)methyl]-2-(5-fluoro-4-methoxy-1-methylindol-3-yl)ethanamine
CID 58303903
1-[3,5-dichloro-2-[(3-chlorophenyl)methoxy]phenyl]-N-methylmethanamine
CID 63499190
1-[4-[(3-chlorophenyl)methoxy]-3,5-dimethylphenyl]-N-methylmethanamine
CID 60879302
1-(4-ethoxy-5-fluoro-1-methylindol-3-yl)-4-phenylbutan-2-one
CID 58303978
2-[(3-chlorophenyl)methoxy]-3-fluorobenzoic acid
CID 65124992
4-[(3-chlorophenyl)methoxy]-5-fluoro-N-methylpyrimidin-2-amine
CID 80876322
2-(1,3-dimethylindol-4-yl)-N-methylethanamine
CID 117204456
N-[[4-[(3-chlorophenyl)methoxy]-3-methoxyphenyl]methyl]-2-(2-fluorophenyl)ethanamine
CID 4722411

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(3-chlorophenyl)methoxy]-5-fluoro-1-methylindol-3-yl]-N-methylethanamine?
The IUPAC name of 2-[4-[(3-chlorophenyl)methoxy]-5-fluoro-1-methylindol-3-yl]-N-methylethanamine (CID 50997397) is 2-[4-[(3-chlorophenyl)methoxy]-5-fluoro-1-methylindol-3-yl]-N-methylethanamine.
What is the SMILES notation for 2-[4-[(3-chlorophenyl)methoxy]-5-fluoro-1-methylindol-3-yl]-N-methylethanamine?
The canonical SMILES for 2-[4-[(3-chlorophenyl)methoxy]-5-fluoro-1-methylindol-3-yl]-N-methylethanamine is CNCCc1cn(C)c2ccc(F)c(OCc3cccc(Cl)c3)c12.
What is the InChIKey of 2-[4-[(3-chlorophenyl)methoxy]-5-fluoro-1-methylindol-3-yl]-N-methylethanamine?
The InChIKey is NYOFFVBQAHWQOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClFN2O/c1-22-9-8-14-11-23(2)17-7-6-16(21)19(18(14)17)24-12-13-4-3-5-15(20)10-13/h3-7,10-11,22H,8-9,12H2,1-2H3.
What are the key properties of 2-[4-[(3-chlorophenyl)methoxy]-5-fluoro-1-methylindol-3-yl]-N-methylethanamine?
2-[4-[(3-chlorophenyl)methoxy]-5-fluoro-1-methylindol-3-yl]-N-methylethanamine has a molecular weight of 346.83 g/mol, XLogP of 4.31, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(3-chlorophenyl)methoxy]-5-fluoro-1-methylindol-3-yl]-N-methylethanamine is sourced from PubChem (CID 50997397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).