1-[4-(5-fluoro-1H-indol-3-yl)cyclohexyl]-2-(4-fluoro-2-methoxyphenoxy)ethanamine

C23H26F2N2O2 — CID 18687663

IUPAC1-[4-(5-fluoro-1H-indol-3-yl)cyclohexyl]-2-(4-fluoro-2-methoxyphenoxy)ethanamine
SMILESCOc1cc(F)ccc1OCC(N)C1CCC(c2c[nH]c3ccc(F)cc23)CC1
InChIInChI=1S/C23H26F2N2O2/c1-28-23-11-17(25)7-9-22(23)29-13-20(26)15-4-2-14(3-5-15)19-12-27-21-8-6-16(24)10-18(19)21/h6-12,14-15,20,27H,2-5,13,26H2,1H3
InChIKeyGHDRDBMEEFCRLX-UHFFFAOYSA-N
MW400.47 g/mol
LogP5.13
Rot. Bonds6

About 1-[4-(5-fluoro-1H-indol-3-yl)cyclohexyl]-2-(4-fluoro-2-methoxyphenoxy)ethanamine

1-[4-(5-fluoro-1H-indol-3-yl)cyclohexyl]-2-(4-fluoro-2-methoxyphenoxy)ethanamine (PubChem CID 18687663) has the molecular formula C23H26F2N2O2 and a molecular weight of 400.47 g/mol. Its IUPAC name is 1-[4-(5-fluoro-1H-indol-3-yl)cyclohexyl]-2-(4-fluoro-2-methoxyphenoxy)ethanamine.

Molecular Properties

Compound Name1-[4-(5-fluoro-1H-indol-3-yl)cyclohexyl]-2-(4-fluoro-2-methoxyphenoxy)ethanamine
PubChem CID18687663
Molecular FormulaC23H26F2N2O2
Molecular Weight400.47 g/mol
Exact Mass400.20
IUPAC Name1-[4-(5-fluoro-1H-indol-3-yl)cyclohexyl]-2-(4-fluoro-2-methoxyphenoxy)ethanamine
SMILESCOc1cc(F)ccc1OCC(N)C1CCC(c2c[nH]c3ccc(F)cc23)CC1
InChIInChI=1S/C23H26F2N2O2/c1-28-23-11-17(25)7-9-22(23)29-13-20(26)15-4-2-14(3-5-15)19-12-27-21-8-6-16(24)10-18(19)21/h6-12,14-15,20,27H,2-5,13,26H2,1H3
InChIKeyGHDRDBMEEFCRLX-UHFFFAOYSA-N
XLogP5.13
TPSA60.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.47
LogP ≤ 55.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[4-(5-fluoro-1H-indol-3-yl)cyclohexyl]-2-(4-fluoro-2-methoxyphenoxy)ethanamine with MolForge

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Related Compounds

(3,4-dimethoxyphenyl)-[4-(5-fluoro-1H-indol-3-yl)piperidin-1-yl]methanone
CID 113087390
2-(3,4-dimethoxyphenyl)-1-[4-(5-fluoro-1H-indol-3-yl)piperidin-1-yl]ethanone
CID 113087404
1-[4-(5-fluoro-1H-indol-3-yl)piperidin-1-yl]-3-(1H-indol-4-yloxy)propan-2-ol
CID 21268311
3-(3,4-dimethoxyphenyl)-2-(5-fluoro-1H-indol-3-yl)propan-1-amine
CID 83976531
(1R)-1-(3-fluoro-4-methoxyphenyl)-2-[4-(5-methoxy-1H-indol-3-yl)piperidin-1-yl]ethanol
CID 95172600
2-(3,4-dimethoxyphenyl)-1-[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]ethanone
CID 113087627
3-(1,4-dioxaspiro[4.5]decan-8-yl)-5-fluoro-1H-indole
CID 10564325
1-[4-(5-fluoro-1H-indol-3-yl)piperidin-1-yl]-2-(4-methylphenyl)ethanone
CID 113087417
3-[1-(cyclooctylmethyl)piperidin-4-yl]-5-fluoro-1H-indole
CID 16665917
(1S)-3-(5-fluoro-1H-indol-3-yl)-N-[[(3S)-5-methoxy-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]cyclopentan-1-amine
CID 10386054
(1R)-1-cyclopropyl-2-(2,4-dimethylphenoxy)ethanamine
CID 95252700
2-cyclopropyl-1-(5-fluoro-2-methoxyphenyl)propan-1-amine
CID 83154876

Frequently Asked Questions

What is the IUPAC name of 1-[4-(5-fluoro-1H-indol-3-yl)cyclohexyl]-2-(4-fluoro-2-methoxyphenoxy)ethanamine?
The IUPAC name of 1-[4-(5-fluoro-1H-indol-3-yl)cyclohexyl]-2-(4-fluoro-2-methoxyphenoxy)ethanamine (CID 18687663) is 1-[4-(5-fluoro-1H-indol-3-yl)cyclohexyl]-2-(4-fluoro-2-methoxyphenoxy)ethanamine.
What is the SMILES notation for 1-[4-(5-fluoro-1H-indol-3-yl)cyclohexyl]-2-(4-fluoro-2-methoxyphenoxy)ethanamine?
The canonical SMILES for 1-[4-(5-fluoro-1H-indol-3-yl)cyclohexyl]-2-(4-fluoro-2-methoxyphenoxy)ethanamine is COc1cc(F)ccc1OCC(N)C1CCC(c2c[nH]c3ccc(F)cc23)CC1.
What is the InChIKey of 1-[4-(5-fluoro-1H-indol-3-yl)cyclohexyl]-2-(4-fluoro-2-methoxyphenoxy)ethanamine?
The InChIKey is GHDRDBMEEFCRLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26F2N2O2/c1-28-23-11-17(25)7-9-22(23)29-13-20(26)15-4-2-14(3-5-15)19-12-27-21-8-6-16(24)10-18(19)21/h6-12,14-15,20,27H,2-5,13,26H2,1H3.
What are the key properties of 1-[4-(5-fluoro-1H-indol-3-yl)cyclohexyl]-2-(4-fluoro-2-methoxyphenoxy)ethanamine?
1-[4-(5-fluoro-1H-indol-3-yl)cyclohexyl]-2-(4-fluoro-2-methoxyphenoxy)ethanamine has a molecular weight of 400.47 g/mol, XLogP of 5.13, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(5-fluoro-1H-indol-3-yl)cyclohexyl]-2-(4-fluoro-2-methoxyphenoxy)ethanamine is sourced from PubChem (CID 18687663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).