(2S)-1-(6-methoxy-1-propylindol-3-yl)propan-2-amine

C15H22N2O — CID 40901056

IUPAC(2S)-1-(6-methoxy-1-propylindol-3-yl)propan-2-amine
SMILESCCCn1cc(C[C@H](C)N)c2ccc(OC)cc21
InChIInChI=1S/C15H22N2O/c1-4-7-17-10-12(8-11(2)16)14-6-5-13(18-3)9-15(14)17/h5-6,9-11H,4,7-8,16H2,1-3H3/t11-/m0/s1
InChIKeyGWPLSURXWIWLPI-NSHDSACASA-N
MW246.35 g/mol
LogP2.95
Rot. Bonds5

About (2S)-1-(6-methoxy-1-propylindol-3-yl)propan-2-amine

(2S)-1-(6-methoxy-1-propylindol-3-yl)propan-2-amine (PubChem CID 40901056) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is (2S)-1-(6-methoxy-1-propylindol-3-yl)propan-2-amine.

Molecular Properties

Compound Name(2S)-1-(6-methoxy-1-propylindol-3-yl)propan-2-amine
PubChem CID40901056
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC Name(2S)-1-(6-methoxy-1-propylindol-3-yl)propan-2-amine
SMILESCCCn1cc(C[C@H](C)N)c2ccc(OC)cc21
InChIInChI=1S/C15H22N2O/c1-4-7-17-10-12(8-11(2)16)14-6-5-13(18-3)9-15(14)17/h5-6,9-11H,4,7-8,16H2,1-3H3/t11-/m0/s1
InChIKeyGWPLSURXWIWLPI-NSHDSACASA-N
XLogP2.95
TPSA40.18 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-butyl-6-methoxyindol-1-yl)ethanamine
CID 83948678
(2S)-1-(5-methyl-1-propylindol-3-yl)propan-2-amine
CID 41063911
2-(1-butyl-6-methoxyindol-3-yl)ethanamine
CID 83948665
(1-ethyl-6-methoxyindol-3-yl)methanamine
CID 117122317
2-[1-(2-aminoethyl)-6-methoxyindol-3-yl]acetic acid
CID 83945216
6-methoxy-1-propylindole-3-carboxylic acid
CID 53418823
3-[3-(2-aminoethyl)-6-methoxyindol-1-yl]propan-1-amine
CID 83948673
2-(6-methoxy-3-methylindol-1-yl)ethanamine
CID 82491960
2-[3-(2-aminoethyl)-6-methoxyindol-1-yl]ethanol
CID 83945184
1-(5-methoxy-1-propylindol-3-yl)ethanol
CID 83944528
3-[1-(3-aminopropyl)-6-methoxyindol-3-yl]propan-1-ol
CID 83945213
CID 169304570
CID 169304570

Frequently Asked Questions

What is the IUPAC name of (2S)-1-(6-methoxy-1-propylindol-3-yl)propan-2-amine?
The IUPAC name of (2S)-1-(6-methoxy-1-propylindol-3-yl)propan-2-amine (CID 40901056) is (2S)-1-(6-methoxy-1-propylindol-3-yl)propan-2-amine.
What is the SMILES notation for (2S)-1-(6-methoxy-1-propylindol-3-yl)propan-2-amine?
The canonical SMILES for (2S)-1-(6-methoxy-1-propylindol-3-yl)propan-2-amine is CCCn1cc(C[C@H](C)N)c2ccc(OC)cc21.
What is the InChIKey of (2S)-1-(6-methoxy-1-propylindol-3-yl)propan-2-amine?
The InChIKey is GWPLSURXWIWLPI-NSHDSACASA-N. The full InChI is InChI=1S/C15H22N2O/c1-4-7-17-10-12(8-11(2)16)14-6-5-13(18-3)9-15(14)17/h5-6,9-11H,4,7-8,16H2,1-3H3/t11-/m0/s1.
What are the key properties of (2S)-1-(6-methoxy-1-propylindol-3-yl)propan-2-amine?
(2S)-1-(6-methoxy-1-propylindol-3-yl)propan-2-amine has a molecular weight of 246.35 g/mol, XLogP of 2.95, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(6-methoxy-1-propylindol-3-yl)propan-2-amine is sourced from PubChem (CID 40901056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).