2-ethoxy-4-(2-methylindol-1-yl)butan-1-amine

C15H22N2O — CID 63069922

IUPAC2-ethoxy-4-(2-methylindol-1-yl)butan-1-amine
SMILESCCOC(CN)CCn1c(C)cc2ccccc21
InChIInChI=1S/C15H22N2O/c1-3-18-14(11-16)8-9-17-12(2)10-13-6-4-5-7-15(13)17/h4-7,10,14H,3,8-9,11,16H2,1-2H3
InChIKeyCYEVMQLAPDJVBM-UHFFFAOYSA-N
MW246.35 g/mol
LogP2.70
Rot. Bonds6

About 2-ethoxy-4-(2-methylindol-1-yl)butan-1-amine

2-ethoxy-4-(2-methylindol-1-yl)butan-1-amine (PubChem CID 63069922) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is 2-ethoxy-4-(2-methylindol-1-yl)butan-1-amine.

Molecular Properties

Compound Name2-ethoxy-4-(2-methylindol-1-yl)butan-1-amine
PubChem CID63069922
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC Name2-ethoxy-4-(2-methylindol-1-yl)butan-1-amine
SMILESCCOC(CN)CCn1c(C)cc2ccccc21
InChIInChI=1S/C15H22N2O/c1-3-18-14(11-16)8-9-17-12(2)10-13-6-4-5-7-15(13)17/h4-7,10,14H,3,8-9,11,16H2,1-2H3
InChIKeyCYEVMQLAPDJVBM-UHFFFAOYSA-N
XLogP2.70
TPSA40.18 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-4-(2-methylindol-1-yl)butan-1-amine?
The IUPAC name of 2-ethoxy-4-(2-methylindol-1-yl)butan-1-amine (CID 63069922) is 2-ethoxy-4-(2-methylindol-1-yl)butan-1-amine.
What is the SMILES notation for 2-ethoxy-4-(2-methylindol-1-yl)butan-1-amine?
The canonical SMILES for 2-ethoxy-4-(2-methylindol-1-yl)butan-1-amine is CCOC(CN)CCn1c(C)cc2ccccc21.
What is the InChIKey of 2-ethoxy-4-(2-methylindol-1-yl)butan-1-amine?
The InChIKey is CYEVMQLAPDJVBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O/c1-3-18-14(11-16)8-9-17-12(2)10-13-6-4-5-7-15(13)17/h4-7,10,14H,3,8-9,11,16H2,1-2H3.
What are the key properties of 2-ethoxy-4-(2-methylindol-1-yl)butan-1-amine?
2-ethoxy-4-(2-methylindol-1-yl)butan-1-amine has a molecular weight of 246.35 g/mol, XLogP of 2.70, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-4-(2-methylindol-1-yl)butan-1-amine is sourced from PubChem (CID 63069922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).