ethane;5-fluoro-1-methyl-4-phenylmethoxy-3-propylindole

C21H26FNO — CID 123524906

IUPACethane;5-fluoro-1-methyl-4-phenylmethoxy-3-propylindole
SMILESCC.CCCc1cn(C)c2ccc(F)c(OCc3ccccc3)c12
InChIInChI=1S/C19H20FNO.C2H6/c1-3-7-15-12-21(2)17-11-10-16(20)19(18(15)17)22-13-14-8-5-4-6-9-14;1-2/h4-6,8-12H,3,7,13H2,1-2H3;1-2H3
InChIKeyNCOOJFQKMPOXNP-UHFFFAOYSA-N
MW327.44 g/mol
LogP5.88
Rot. Bonds5

About ethane;5-fluoro-1-methyl-4-phenylmethoxy-3-propylindole

ethane;5-fluoro-1-methyl-4-phenylmethoxy-3-propylindole (PubChem CID 123524906) has the molecular formula C21H26FNO and a molecular weight of 327.44 g/mol. Its IUPAC name is ethane;5-fluoro-1-methyl-4-phenylmethoxy-3-propylindole.

Molecular Properties

Compound Nameethane;5-fluoro-1-methyl-4-phenylmethoxy-3-propylindole
PubChem CID123524906
Molecular FormulaC21H26FNO
Molecular Weight327.44 g/mol
Exact Mass327.20
IUPAC Nameethane;5-fluoro-1-methyl-4-phenylmethoxy-3-propylindole
SMILESCC.CCCc1cn(C)c2ccc(F)c(OCc3ccccc3)c12
InChIInChI=1S/C19H20FNO.C2H6/c1-3-7-15-12-21(2)17-11-10-16(20)19(18(15)17)22-13-14-8-5-4-6-9-14;1-2/h4-6,8-12H,3,7,13H2,1-2H3;1-2H3
InChIKeyNCOOJFQKMPOXNP-UHFFFAOYSA-N
XLogP5.88
TPSA14.16 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500327.44
LogP ≤ 55.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-ethoxy-5-fluoro-1-methylindol-3-yl)-4-phenylbutan-2-one
CID 58303978
2-[4-[(3-chlorophenyl)methoxy]-5-fluoro-1-methylindol-3-yl]-N-methylethanamine
CID 50997397
2-(5-fluoro-4-methoxy-1-methylindol-3-yl)acetic acid
CID 58304033
N-benzyl-2-(1-ethyl-5-fluoro-4-methoxyindol-3-yl)ethanamine;1-ethyl-5-fluoro-3-(2-hydroxyethyl)indol-4-ol;2-(1-ethyl-5-fluoro-4-methoxyindol-3-yl)ethanol;2-(1-ethyl-5-fluoro-4-phenylmethoxyindol-3-yl)ethanol
CID 162023675
3-ethyl-4,5-difluoro-1-methylindole
CID 126610746
2-[2-(1-methyl-4-phenylmethoxyindol-3-yl)ethyl]isoindole-1,3-dione
CID 53328839
2-[5-fluoro-1-methyl-4-(2-phenoxyethoxy)indol-3-yl]propan-1-amine
CID 123176452
5-fluoro-4-methoxy-1-methyl-3-[3-[3-(4-methylpiperazin-1-yl)phenyl]propyl]indole
CID 58303868
3,4-difluoro-2-phenylmethoxyaniline
CID 62532181
N-[(3,4-dimethoxyphenyl)methyl]-2-(5-fluoro-4-methoxy-1-methylindol-3-yl)ethanamine
CID 58303903
N-[2-(1-methyl-5-phenylmethoxyindol-3-yl)ethyl]propanamide
CID 84580371
1-[[4-fluoro-2,3-bis(phenylmethoxy)phenyl]methyl]-1-methylhydrazine
CID 150673935

Frequently Asked Questions

What is the IUPAC name of ethane;5-fluoro-1-methyl-4-phenylmethoxy-3-propylindole?
The IUPAC name of ethane;5-fluoro-1-methyl-4-phenylmethoxy-3-propylindole (CID 123524906) is ethane;5-fluoro-1-methyl-4-phenylmethoxy-3-propylindole.
What is the SMILES notation for ethane;5-fluoro-1-methyl-4-phenylmethoxy-3-propylindole?
The canonical SMILES for ethane;5-fluoro-1-methyl-4-phenylmethoxy-3-propylindole is CC.CCCc1cn(C)c2ccc(F)c(OCc3ccccc3)c12.
What is the InChIKey of ethane;5-fluoro-1-methyl-4-phenylmethoxy-3-propylindole?
The InChIKey is NCOOJFQKMPOXNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FNO.C2H6/c1-3-7-15-12-21(2)17-11-10-16(20)19(18(15)17)22-13-14-8-5-4-6-9-14;1-2/h4-6,8-12H,3,7,13H2,1-2H3;1-2H3.
What are the key properties of ethane;5-fluoro-1-methyl-4-phenylmethoxy-3-propylindole?
ethane;5-fluoro-1-methyl-4-phenylmethoxy-3-propylindole has a molecular weight of 327.44 g/mol, XLogP of 5.88, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;5-fluoro-1-methyl-4-phenylmethoxy-3-propylindole is sourced from PubChem (CID 123524906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).