(2S)-1-(7-methoxyindol-1-yl)propan-2-amine

C12H16N2O — CID 173286009

IUPAC(2S)-1-(7-methoxyindol-1-yl)propan-2-amine
SMILESCOc1cccc2ccn(C[C@H](C)N)c12
InChIInChI=1S/C12H16N2O/c1-9(13)8-14-7-6-10-4-3-5-11(15-2)12(10)14/h3-7,9H,8,13H2,1-2H3/t9-/m0/s1
InChIKeyQMXFUDTXLGAIAO-VIFPVBQESA-N
MW204.27 g/mol
LogP2.00
Rot. Bonds3

About (2S)-1-(7-methoxyindol-1-yl)propan-2-amine

(2S)-1-(7-methoxyindol-1-yl)propan-2-amine (PubChem CID 173286009) has the molecular formula C12H16N2O and a molecular weight of 204.27 g/mol. Its IUPAC name is (2S)-1-(7-methoxyindol-1-yl)propan-2-amine.

Molecular Properties

Compound Name(2S)-1-(7-methoxyindol-1-yl)propan-2-amine
PubChem CID173286009
Molecular FormulaC12H16N2O
Molecular Weight204.27 g/mol
Exact Mass204.13
IUPAC Name(2S)-1-(7-methoxyindol-1-yl)propan-2-amine
SMILESCOc1cccc2ccn(C[C@H](C)N)c12
InChIInChI=1S/C12H16N2O/c1-9(13)8-14-7-6-10-4-3-5-11(15-2)12(10)14/h3-7,9H,8,13H2,1-2H3/t9-/m0/s1
InChIKeyQMXFUDTXLGAIAO-VIFPVBQESA-N
XLogP2.00
TPSA40.18 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-indol-1-ylpropan-2-amine
CID 20806570
2-(7-methoxyindol-1-yl)-N-[(1S)-1-phenylethyl]acetamide
CID 39331953
2-(7-methoxyindol-1-yl)-N-(1-phenylethyl)acetamide
CID 42653944
1-[1-(2-methylpropyl)indol-7-yl]ethanamine
CID 115106521
2-[(2S)-2-aminopropyl]isoquinolin-1-one
CID 103934884
(E)-but-2-enedioic acid;2-(7-methoxyindol-1-yl)-N,N-dimethylethanamine
CID 155527381
2-[3-(7-methoxyindol-1-yl)propanoylamino]-3-methylpentanoic acid
CID 75269590
N-(2-methoxyethyl)-2-(7-methoxyindol-1-yl)acetamide
CID 39315359
1-[1-(2-methylpentyl)indol-7-yl]propan-2-amine
CID 102917302
[1-(2-methoxypropyl)indol-7-yl]methanol
CID 102912071
(1-ethylindol-7-yl) hypobromite
CID 23151410
7-methoxy-1-[3-[4-(2-phenylethyl)-1,4-diazepan-1-yl]propyl]indole
CID 143503177

Frequently Asked Questions

What is the IUPAC name of (2S)-1-(7-methoxyindol-1-yl)propan-2-amine?
The IUPAC name of (2S)-1-(7-methoxyindol-1-yl)propan-2-amine (CID 173286009) is (2S)-1-(7-methoxyindol-1-yl)propan-2-amine.
What is the SMILES notation for (2S)-1-(7-methoxyindol-1-yl)propan-2-amine?
The canonical SMILES for (2S)-1-(7-methoxyindol-1-yl)propan-2-amine is COc1cccc2ccn(C[C@H](C)N)c12.
What is the InChIKey of (2S)-1-(7-methoxyindol-1-yl)propan-2-amine?
The InChIKey is QMXFUDTXLGAIAO-VIFPVBQESA-N. The full InChI is InChI=1S/C12H16N2O/c1-9(13)8-14-7-6-10-4-3-5-11(15-2)12(10)14/h3-7,9H,8,13H2,1-2H3/t9-/m0/s1.
What are the key properties of (2S)-1-(7-methoxyindol-1-yl)propan-2-amine?
(2S)-1-(7-methoxyindol-1-yl)propan-2-amine has a molecular weight of 204.27 g/mol, XLogP of 2.00, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(7-methoxyindol-1-yl)propan-2-amine is sourced from PubChem (CID 173286009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).