2-[5-fluoro-4-[2-(4-methoxyphenyl)ethoxy]-1-methylindol-3-yl]propan-1-amine

C21H25FN2O2 — CID 123329712

IUPAC2-[5-fluoro-4-[2-(4-methoxyphenyl)ethoxy]-1-methylindol-3-yl]propan-1-amine
SMILESCOc1ccc(CCOc2c(F)ccc3c2c(C(C)CN)cn3C)cc1
InChIInChI=1S/C21H25FN2O2/c1-14(12-23)17-13-24(2)19-9-8-18(22)21(20(17)19)26-11-10-15-4-6-16(25-3)7-5-15/h4-9,13-14H,10-12,23H2,1-3H3
InChIKeyWJXFEKRSKRYEAA-UHFFFAOYSA-N
MW356.44 g/mol
LogP4.01
Rot. Bonds7

About 2-[5-fluoro-4-[2-(4-methoxyphenyl)ethoxy]-1-methylindol-3-yl]propan-1-amine

2-[5-fluoro-4-[2-(4-methoxyphenyl)ethoxy]-1-methylindol-3-yl]propan-1-amine (PubChem CID 123329712) has the molecular formula C21H25FN2O2 and a molecular weight of 356.44 g/mol. Its IUPAC name is 2-[5-fluoro-4-[2-(4-methoxyphenyl)ethoxy]-1-methylindol-3-yl]propan-1-amine.

Molecular Properties

Compound Name2-[5-fluoro-4-[2-(4-methoxyphenyl)ethoxy]-1-methylindol-3-yl]propan-1-amine
PubChem CID123329712
Molecular FormulaC21H25FN2O2
Molecular Weight356.44 g/mol
Exact Mass356.19
IUPAC Name2-[5-fluoro-4-[2-(4-methoxyphenyl)ethoxy]-1-methylindol-3-yl]propan-1-amine
SMILESCOc1ccc(CCOc2c(F)ccc3c2c(C(C)CN)cn3C)cc1
InChIInChI=1S/C21H25FN2O2/c1-14(12-23)17-13-24(2)19-9-8-18(22)21(20(17)19)26-11-10-15-4-6-16(25-3)7-5-15/h4-9,13-14H,10-12,23H2,1-3H3
InChIKeyWJXFEKRSKRYEAA-UHFFFAOYSA-N
XLogP4.01
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.44
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[5-fluoro-1-methyl-4-(2-phenoxyethoxy)indol-3-yl]propan-1-amine
CID 123176452
2-(4,6-dimethoxy-1-methylindol-3-yl)propan-1-amine
CID 82498789
2-[5-methoxy-1-(2-phenylethyl)indol-3-yl]propan-1-amine
CID 11130636
(1S)-1-[2-fluoro-4-[2-(4-methoxyphenyl)ethoxy]phenyl]ethanol
CID 107720305
2-(6-chloro-1-methylindol-3-yl)propan-1-amine
CID 82494528
1-(5-methoxy-1-methylindol-3-yl)ethane-1,2-diamine
CID 170894776
2-(3-fluoro-2-methoxyphenyl)propan-1-amine;hydrobromide
CID 117414447
4-[2-(4-methoxyphenyl)ethoxy]-1-methylpyrazole
CID 116794086
2-amino-1-(6-methoxy-1-methylindol-3-yl)ethanol
CID 82278870
(2S)-4-(5-methoxy-1-methylindol-3-yl)butan-2-amine
CID 96673434
1-(4-ethoxy-5-fluoro-1-methylindol-3-yl)-4-phenylbutan-2-one
CID 58303978
ethane;5-fluoro-1-methyl-4-phenylmethoxy-3-propylindole
CID 123524906

Frequently Asked Questions

What is the IUPAC name of 2-[5-fluoro-4-[2-(4-methoxyphenyl)ethoxy]-1-methylindol-3-yl]propan-1-amine?
The IUPAC name of 2-[5-fluoro-4-[2-(4-methoxyphenyl)ethoxy]-1-methylindol-3-yl]propan-1-amine (CID 123329712) is 2-[5-fluoro-4-[2-(4-methoxyphenyl)ethoxy]-1-methylindol-3-yl]propan-1-amine.
What is the SMILES notation for 2-[5-fluoro-4-[2-(4-methoxyphenyl)ethoxy]-1-methylindol-3-yl]propan-1-amine?
The canonical SMILES for 2-[5-fluoro-4-[2-(4-methoxyphenyl)ethoxy]-1-methylindol-3-yl]propan-1-amine is COc1ccc(CCOc2c(F)ccc3c2c(C(C)CN)cn3C)cc1.
What is the InChIKey of 2-[5-fluoro-4-[2-(4-methoxyphenyl)ethoxy]-1-methylindol-3-yl]propan-1-amine?
The InChIKey is WJXFEKRSKRYEAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25FN2O2/c1-14(12-23)17-13-24(2)19-9-8-18(22)21(20(17)19)26-11-10-15-4-6-16(25-3)7-5-15/h4-9,13-14H,10-12,23H2,1-3H3.
What are the key properties of 2-[5-fluoro-4-[2-(4-methoxyphenyl)ethoxy]-1-methylindol-3-yl]propan-1-amine?
2-[5-fluoro-4-[2-(4-methoxyphenyl)ethoxy]-1-methylindol-3-yl]propan-1-amine has a molecular weight of 356.44 g/mol, XLogP of 4.01, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-fluoro-4-[2-(4-methoxyphenyl)ethoxy]-1-methylindol-3-yl]propan-1-amine is sourced from PubChem (CID 123329712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).