1-(1-benzyl-5-methoxyindol-3-yl)propan-2-amine

C19H22N2O — CID 14739628

IUPAC1-(1-benzyl-5-methoxyindol-3-yl)propan-2-amine
SMILESCOc1ccc2c(c1)c(CC(C)N)cn2Cc1ccccc1
InChIInChI=1S/C19H22N2O/c1-14(20)10-16-13-21(12-15-6-4-3-5-7-15)19-9-8-17(22-2)11-18(16)19/h3-9,11,13-14H,10,12,20H2,1-2H3
InChIKeyJUGLMKLPIZOAOC-UHFFFAOYSA-N
MW294.40 g/mol
LogP3.59
Rot. Bonds5

About 1-(1-benzyl-5-methoxyindol-3-yl)propan-2-amine

1-(1-benzyl-5-methoxyindol-3-yl)propan-2-amine (PubChem CID 14739628) has the molecular formula C19H22N2O and a molecular weight of 294.40 g/mol. Its IUPAC name is 1-(1-benzyl-5-methoxyindol-3-yl)propan-2-amine.

Molecular Properties

Compound Name1-(1-benzyl-5-methoxyindol-3-yl)propan-2-amine
PubChem CID14739628
Molecular FormulaC19H22N2O
Molecular Weight294.40 g/mol
Exact Mass294.17
IUPAC Name1-(1-benzyl-5-methoxyindol-3-yl)propan-2-amine
SMILESCOc1ccc2c(c1)c(CC(C)N)cn2Cc1ccccc1
InChIInChI=1S/C19H22N2O/c1-14(20)10-16-13-21(12-15-6-4-3-5-7-15)19-9-8-17(22-2)11-18(16)19/h3-9,11,13-14H,10,12,20H2,1-2H3
InChIKeyJUGLMKLPIZOAOC-UHFFFAOYSA-N
XLogP3.59
TPSA40.18 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(1-benzyl-5-methoxyindol-3-yl)propan-2-amine?
The IUPAC name of 1-(1-benzyl-5-methoxyindol-3-yl)propan-2-amine (CID 14739628) is 1-(1-benzyl-5-methoxyindol-3-yl)propan-2-amine.
What is the SMILES notation for 1-(1-benzyl-5-methoxyindol-3-yl)propan-2-amine?
The canonical SMILES for 1-(1-benzyl-5-methoxyindol-3-yl)propan-2-amine is COc1ccc2c(c1)c(CC(C)N)cn2Cc1ccccc1.
What is the InChIKey of 1-(1-benzyl-5-methoxyindol-3-yl)propan-2-amine?
The InChIKey is JUGLMKLPIZOAOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O/c1-14(20)10-16-13-21(12-15-6-4-3-5-7-15)19-9-8-17(22-2)11-18(16)19/h3-9,11,13-14H,10,12,20H2,1-2H3.
What are the key properties of 1-(1-benzyl-5-methoxyindol-3-yl)propan-2-amine?
1-(1-benzyl-5-methoxyindol-3-yl)propan-2-amine has a molecular weight of 294.40 g/mol, XLogP of 3.59, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzyl-5-methoxyindol-3-yl)propan-2-amine is sourced from PubChem (CID 14739628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).