2-ethoxy-4-(6-methylindol-1-yl)butan-1-amine

C15H22N2O — CID 63070295

IUPAC2-ethoxy-4-(6-methylindol-1-yl)butan-1-amine
SMILESCCOC(CN)CCn1ccc2ccc(C)cc21
InChIInChI=1S/C15H22N2O/c1-3-18-14(11-16)7-9-17-8-6-13-5-4-12(2)10-15(13)17/h4-6,8,10,14H,3,7,9,11,16H2,1-2H3
InChIKeyZGIISSQFXSDVNK-UHFFFAOYSA-N
MW246.35 g/mol
LogP2.70
Rot. Bonds6

About 2-ethoxy-4-(6-methylindol-1-yl)butan-1-amine

2-ethoxy-4-(6-methylindol-1-yl)butan-1-amine (PubChem CID 63070295) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is 2-ethoxy-4-(6-methylindol-1-yl)butan-1-amine.

Molecular Properties

Compound Name2-ethoxy-4-(6-methylindol-1-yl)butan-1-amine
PubChem CID63070295
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC Name2-ethoxy-4-(6-methylindol-1-yl)butan-1-amine
SMILESCCOC(CN)CCn1ccc2ccc(C)cc21
InChIInChI=1S/C15H22N2O/c1-3-18-14(11-16)7-9-17-8-6-13-5-4-12(2)10-15(13)17/h4-6,8,10,14H,3,7,9,11,16H2,1-2H3
InChIKeyZGIISSQFXSDVNK-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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Related Compounds

1-(2,2-diethoxyethyl)-6-methylindole
CID 55249362
1-(3-ethoxypropyl)-6-methylindole
CID 116546661
2-ethoxy-4-(2-methylindol-1-yl)butan-1-amine
CID 63069922
1-(2-bromoethyl)-6-methylindole
CID 130577129
ethyl 3-hydroxy-4-(6-methylindol-1-yl)butanoate
CID 82777232
1-decyl-6-methylindole
CID 116546893
1-(4-amino-3-ethoxybutyl)pyridin-2-one
CID 63071421
N-[2-(6-methylindol-1-yl)ethyl]butan-2-amine
CID 62562519
2,2-dimethyl-5-(6-methylindol-1-yl)pentan-1-amine
CID 65253963
1-(2,2-difluoroethyl)-6-methylindole
CID 116546869
3-(6-methylindol-1-yl)-N-propylpropan-1-amine
CID 62562354
6-methyl-1-(4,4,4-trifluorobutyl)indole
CID 116546672

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-4-(6-methylindol-1-yl)butan-1-amine?
The IUPAC name of 2-ethoxy-4-(6-methylindol-1-yl)butan-1-amine (CID 63070295) is 2-ethoxy-4-(6-methylindol-1-yl)butan-1-amine.
What is the SMILES notation for 2-ethoxy-4-(6-methylindol-1-yl)butan-1-amine?
The canonical SMILES for 2-ethoxy-4-(6-methylindol-1-yl)butan-1-amine is CCOC(CN)CCn1ccc2ccc(C)cc21.
What is the InChIKey of 2-ethoxy-4-(6-methylindol-1-yl)butan-1-amine?
The InChIKey is ZGIISSQFXSDVNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O/c1-3-18-14(11-16)7-9-17-8-6-13-5-4-12(2)10-15(13)17/h4-6,8,10,14H,3,7,9,11,16H2,1-2H3.
What are the key properties of 2-ethoxy-4-(6-methylindol-1-yl)butan-1-amine?
2-ethoxy-4-(6-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-(6-methylindol-1-yl)butan-1-amine is sourced from PubChem (CID 63070295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).