(2R)-1-(6-fluoro-1H-indol-3-yl)propan-2-amine;4-fluoro-3-(2-methylpropyl)-1H-indole;5-fluoro-3-(2-methylpropyl)-1H-indole;methane;3-(2-methylpropyl)-1H-indole

C48H60F3N5 — CID 163636183

IUPAC(2R)-1-(6-fluoro-1H-indol-3-yl)propan-2-amine;4-fluoro-3-(2-methylpropyl)-1H-indole;5-fluoro-3-(2-methylpropyl)-1H-indole;methane;3-(2-methylpropyl)-1H-indole
SMILESC.CC(C)Cc1c[nH]c2ccc(F)cc12.CC(C)Cc1c[nH]c2cccc(F)c12.CC(C)Cc1c[nH]c2ccccc12.C[C@@H](N)Cc1c[nH]c2cc(F)ccc12
InChIInChI=1S/2C12H14FN.C12H15N.C11H13FN2.CH4/c1-8(2)5-9-7-14-12-4-3-10(13)6-11(9)12;1-8(2)6-9-7-14-11-5-3-4-10(13)12(9)11;1-9(2)7-10-8-13-12-6-4-3-5-11(10)12;1-7(13)4-8-6-14-11-5-9(12)2-3-10(8)11;/h3-4,6-8,14H,5H2,1-2H3;3-5,7-8,14H,6H2,1-2H3;3-6,8-9,13H,7H2,1-2H3;2-3,5-7,14H,4,13H2,1H3;1H4/t;;;7-;/m...1./s1
InChIKeyIAHOMARTOCNHBG-WDUUWYJCSA-N
MW764.04 g/mol
LogP13.21
Rot. Bonds8

About (2R)-1-(6-fluoro-1H-indol-3-yl)propan-2-amine;4-fluoro-3-(2-methylpropyl)-1H-indole;5-fluoro-3-(2-methylpropyl)-1H-indole;methane;3-(2-methylpropyl)-1H-indole

(2R)-1-(6-fluoro-1H-indol-3-yl)propan-2-amine;4-fluoro-3-(2-methylpropyl)-1H-indole;5-fluoro-3-(2-methylpropyl)-1H-indole;methane;3-(2-methylpropyl)-1H-indole (PubChem CID 163636183) has the molecular formula C48H60F3N5 and a molecular weight of 764.04 g/mol. Its IUPAC name is (2R)-1-(6-fluoro-1H-indol-3-yl)propan-2-amine;4-fluoro-3-(2-methylpropyl)-1H-indole;5-fluoro-3-(2-methylpropyl)-1H-indole;methane;3-(2-methylpropyl)-1H-indole.

Molecular Properties

Compound Name(2R)-1-(6-fluoro-1H-indol-3-yl)propan-2-amine;4-fluoro-3-(2-methylpropyl)-1H-indole;5-fluoro-3-(2-methylpropyl)-1H-indole;methane;3-(2-methylpropyl)-1H-indole
PubChem CID163636183
Molecular FormulaC48H60F3N5
Molecular Weight764.04 g/mol
Exact Mass763.48
IUPAC Name(2R)-1-(6-fluoro-1H-indol-3-yl)propan-2-amine;4-fluoro-3-(2-methylpropyl)-1H-indole;5-fluoro-3-(2-methylpropyl)-1H-indole;methane;3-(2-methylpropyl)-1H-indole
SMILESC.CC(C)Cc1c[nH]c2ccc(F)cc12.CC(C)Cc1c[nH]c2cccc(F)c12.CC(C)Cc1c[nH]c2ccccc12.C[C@@H](N)Cc1c[nH]c2cc(F)ccc12
InChIInChI=1S/2C12H14FN.C12H15N.C11H13FN2.CH4/c1-8(2)5-9-7-14-12-4-3-10(13)6-11(9)12;1-8(2)6-9-7-14-11-5-3-4-10(13)12(9)11;1-9(2)7-10-8-13-12-6-4-3-5-11(10)12;1-7(13)4-8-6-14-11-5-9(12)2-3-10(8)11;/h3-4,6-8,14H,5H2,1-2H3;3-5,7-8,14H,6H2,1-2H3;3-6,8-9,13H,7H2,1-2H3;2-3,5-7,14H,4,13H2,1H3;1H4/t;;;7-;/m...1./s1
InChIKeyIAHOMARTOCNHBG-WDUUWYJCSA-N
XLogP13.21
TPSA89.18 Ų
H-Bond Donors5
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500764.04
LogP ≤ 513.21
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 101

Analyze (2R)-1-(6-fluoro-1H-indol-3-yl)propan-2-amine;4-fluoro-3-(2-methylpropyl)-1H-indole;5-fluoro-3-(2-methylpropyl)-1H-indole;methane;3-(2-methylpropyl)-1H-indole with MolForge

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Related Compounds

1-(1H-indol-3-yl)propan-2-amine;dihydrochloride
CID 141487070
[(2S)-1-(5-fluoro-1H-indol-3-yl)propan-2-yl]azanium
CID 6921756
1-(5-fluoro-1H-indol-3-yl)butan-2-amine
CID 118713118
1-(4-fluoro-1H-indol-3-yl)-N-methylpropan-2-amine
CID 117194879
1-(5-fluoro-1H-indol-3-yl)-N-methylpropan-2-amine
CID 117195576
CID 58748813
CID 58748813
1-(6-fluoro-1H-indol-3-yl)butan-2-amine;hydrochloride
CID 86018044
(4R)-1-fluoro-5-(1H-indol-3-yl)-2,4-dimethylpentan-3-amine
CID 140660880
1-(4-chloro-1H-indol-3-yl)propan-2-amine
CID 12832
(2R)-1-(1H-indol-3-yl)-2,4-dimethylpentan-3-amine
CID 140726561
(2S)-1-(5-fluoro-6-methyl-1H-indol-3-yl)propan-2-amine
CID 149406796
2-amino-3-(4-fluoro-1H-indol-3-yl)propanoic acid;ethane
CID 145142426

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(6-fluoro-1H-indol-3-yl)propan-2-amine;4-fluoro-3-(2-methylpropyl)-1H-indole;5-fluoro-3-(2-methylpropyl)-1H-indole;methane;3-(2-methylpropyl)-1H-indole?
The IUPAC name of (2R)-1-(6-fluoro-1H-indol-3-yl)propan-2-amine;4-fluoro-3-(2-methylpropyl)-1H-indole;5-fluoro-3-(2-methylpropyl)-1H-indole;methane;3-(2-methylpropyl)-1H-indole (CID 163636183) is (2R)-1-(6-fluoro-1H-indol-3-yl)propan-2-amine;4-fluoro-3-(2-methylpropyl)-1H-indole;5-fluoro-3-(2-methylpropyl)-1H-indole;methane;3-(2-methylpropyl)-1H-indole.
What is the SMILES notation for (2R)-1-(6-fluoro-1H-indol-3-yl)propan-2-amine;4-fluoro-3-(2-methylpropyl)-1H-indole;5-fluoro-3-(2-methylpropyl)-1H-indole;methane;3-(2-methylpropyl)-1H-indole?
The canonical SMILES for (2R)-1-(6-fluoro-1H-indol-3-yl)propan-2-amine;4-fluoro-3-(2-methylpropyl)-1H-indole;5-fluoro-3-(2-methylpropyl)-1H-indole;methane;3-(2-methylpropyl)-1H-indole is C.CC(C)Cc1c[nH]c2ccc(F)cc12.CC(C)Cc1c[nH]c2cccc(F)c12.CC(C)Cc1c[nH]c2ccccc12.C[C@@H](N)Cc1c[nH]c2cc(F)ccc12.
What is the InChIKey of (2R)-1-(6-fluoro-1H-indol-3-yl)propan-2-amine;4-fluoro-3-(2-methylpropyl)-1H-indole;5-fluoro-3-(2-methylpropyl)-1H-indole;methane;3-(2-methylpropyl)-1H-indole?
The InChIKey is IAHOMARTOCNHBG-WDUUWYJCSA-N. The full InChI is InChI=1S/2C12H14FN.C12H15N.C11H13FN2.CH4/c1-8(2)5-9-7-14-12-4-3-10(13)6-11(9)12;1-8(2)6-9-7-14-11-5-3-4-10(13)12(9)11;1-9(2)7-10-8-13-12-6-4-3-5-11(10)12;1-7(13)4-8-6-14-11-5-9(12)2-3-10(8)11;/h3-4,6-8,14H,5H2,1-2H3;3-5,7-8,14H,6H2,1-2H3;3-6,8-9,13H,7H2,1-2H3;2-3,5-7,14H,4,13H2,1H3;1H4/t;;;7-;/m...1./s1.
What are the key properties of (2R)-1-(6-fluoro-1H-indol-3-yl)propan-2-amine;4-fluoro-3-(2-methylpropyl)-1H-indole;5-fluoro-3-(2-methylpropyl)-1H-indole;methane;3-(2-methylpropyl)-1H-indole?
(2R)-1-(6-fluoro-1H-indol-3-yl)propan-2-amine;4-fluoro-3-(2-methylpropyl)-1H-indole;5-fluoro-3-(2-methylpropyl)-1H-indole;methane;3-(2-methylpropyl)-1H-indole has a molecular weight of 764.04 g/mol, XLogP of 13.21, 8 rotatable bonds, 5 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(6-fluoro-1H-indol-3-yl)propan-2-amine;4-fluoro-3-(2-methylpropyl)-1H-indole;5-fluoro-3-(2-methylpropyl)-1H-indole;methane;3-(2-methylpropyl)-1H-indole is sourced from PubChem (CID 163636183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).