(2R)-2-(dimethylamino)-1-(5-fluoro-7-methoxyindol-1-yl)propan-1-one

C14H17FN2O2 — CID 162389061

IUPAC(2R)-2-(dimethylamino)-1-(5-fluoro-7-methoxyindol-1-yl)propan-1-one
SMILESCOc1cc(F)cc2ccn(C(=O)[C@@H](C)N(C)C)c12
InChIInChI=1S/C14H17FN2O2/c1-9(16(2)3)14(18)17-6-5-10-7-11(15)8-12(19-4)13(10)17/h5-9H,1-4H3/t9-/m1/s1
InChIKeyLYVCZLUBTXWQNJ-SECBINFHSA-N
MW264.30 g/mol
LogP2.38
Rot. Bonds3

About (2R)-2-(dimethylamino)-1-(5-fluoro-7-methoxyindol-1-yl)propan-1-one

(2R)-2-(dimethylamino)-1-(5-fluoro-7-methoxyindol-1-yl)propan-1-one (PubChem CID 162389061) has the molecular formula C14H17FN2O2 and a molecular weight of 264.30 g/mol. Its IUPAC name is (2R)-2-(dimethylamino)-1-(5-fluoro-7-methoxyindol-1-yl)propan-1-one.

Molecular Properties

Compound Name(2R)-2-(dimethylamino)-1-(5-fluoro-7-methoxyindol-1-yl)propan-1-one
PubChem CID162389061
Molecular FormulaC14H17FN2O2
Molecular Weight264.30 g/mol
Exact Mass264.13
IUPAC Name(2R)-2-(dimethylamino)-1-(5-fluoro-7-methoxyindol-1-yl)propan-1-one
SMILESCOc1cc(F)cc2ccn(C(=O)[C@@H](C)N(C)C)c12
InChIInChI=1S/C14H17FN2O2/c1-9(16(2)3)14(18)17-6-5-10-7-11(15)8-12(19-4)13(10)17/h5-9H,1-4H3/t9-/m1/s1
InChIKeyLYVCZLUBTXWQNJ-SECBINFHSA-N
XLogP2.38
TPSA34.47 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.30
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(dimethylamino)-1-(5-fluoroindol-1-yl)propan-1-one
CID 162388704
(2S)-2-(dimethylamino)-1-[6-fluoro-3-[[[(2S)-1-(5-fluoro-6-methoxyindol-1-yl)-1-oxopropan-2-yl]-methylamino]methyl]-5-methoxyindol-1-yl]propan-1-one
CID 166891969
2-(dimethylamino)-1-([1,3]dioxolo[4,5-f]indol-5-yl)propan-1-one
CID 162388789
(5-fluoroindol-1-yl)-(3,4,5-trimethoxyphenyl)methanone
CID 11267473
(2S)-2-(diethylamino)-1-(5-methoxyindol-1-yl)propan-1-one
CID 170000579
1-(5-methoxy-6-methylsulfanylindol-1-yl)ethanone
CID 71072893
2-[(5-fluoro-2-methoxyphenyl)methyl-methylamino]propanoic acid
CID 62637971
1-(4-fluoro-2,6-dimethoxyphenyl)ethanone
CID 117287701
1-(2,5-difluoro-3-methoxyphenyl)ethanone
CID 84660399
1-(7-fluoro-5-propan-2-yloxyindol-1-yl)ethanone
CID 138614064
2-(5-fluoro-2-hydroxy-3-methoxyphenyl)propanoic acid
CID 117305116
N-(4-fluoro-2-methoxyphenyl)-N-methylacetamide
CID 134094138

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(dimethylamino)-1-(5-fluoro-7-methoxyindol-1-yl)propan-1-one?
The IUPAC name of (2R)-2-(dimethylamino)-1-(5-fluoro-7-methoxyindol-1-yl)propan-1-one (CID 162389061) is (2R)-2-(dimethylamino)-1-(5-fluoro-7-methoxyindol-1-yl)propan-1-one.
What is the SMILES notation for (2R)-2-(dimethylamino)-1-(5-fluoro-7-methoxyindol-1-yl)propan-1-one?
The canonical SMILES for (2R)-2-(dimethylamino)-1-(5-fluoro-7-methoxyindol-1-yl)propan-1-one is COc1cc(F)cc2ccn(C(=O)[C@@H](C)N(C)C)c12.
What is the InChIKey of (2R)-2-(dimethylamino)-1-(5-fluoro-7-methoxyindol-1-yl)propan-1-one?
The InChIKey is LYVCZLUBTXWQNJ-SECBINFHSA-N. The full InChI is InChI=1S/C14H17FN2O2/c1-9(16(2)3)14(18)17-6-5-10-7-11(15)8-12(19-4)13(10)17/h5-9H,1-4H3/t9-/m1/s1.
What are the key properties of (2R)-2-(dimethylamino)-1-(5-fluoro-7-methoxyindol-1-yl)propan-1-one?
(2R)-2-(dimethylamino)-1-(5-fluoro-7-methoxyindol-1-yl)propan-1-one has a molecular weight of 264.30 g/mol, XLogP of 2.38, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(dimethylamino)-1-(5-fluoro-7-methoxyindol-1-yl)propan-1-one is sourced from PubChem (CID 162389061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).