4-(4-methoxy-1-methylindol-5-yl)butan-1-amine

C14H20N2O — CID 117336846

IUPAC4-(4-methoxy-1-methylindol-5-yl)butan-1-amine
SMILESCOc1c(CCCCN)ccc2c1ccn2C
InChIInChI=1S/C14H20N2O/c1-16-10-8-12-13(16)7-6-11(14(12)17-2)5-3-4-9-15/h6-8,10H,3-5,9,15H2,1-2H3
InChIKeyGXXIRHPYFRPFRR-UHFFFAOYSA-N
MW232.33 g/mol
LogP2.47
Rot. Bonds5

About 4-(4-methoxy-1-methylindol-5-yl)butan-1-amine

4-(4-methoxy-1-methylindol-5-yl)butan-1-amine (PubChem CID 117336846) has the molecular formula C14H20N2O and a molecular weight of 232.33 g/mol. Its IUPAC name is 4-(4-methoxy-1-methylindol-5-yl)butan-1-amine.

Molecular Properties

Compound Name4-(4-methoxy-1-methylindol-5-yl)butan-1-amine
PubChem CID117336846
Molecular FormulaC14H20N2O
Molecular Weight232.33 g/mol
Exact Mass232.16
IUPAC Name4-(4-methoxy-1-methylindol-5-yl)butan-1-amine
SMILESCOc1c(CCCCN)ccc2c1ccn2C
InChIInChI=1S/C14H20N2O/c1-16-10-8-12-13(16)7-6-11(14(12)17-2)5-3-4-9-15/h6-8,10H,3-5,9,15H2,1-2H3
InChIKeyGXXIRHPYFRPFRR-UHFFFAOYSA-N
XLogP2.47
TPSA40.18 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

O-[2-(4-methoxy-1-methylindol-5-yl)ethyl]hydroxylamine
CID 117314447
2-(4-fluoro-1-methylindol-5-yl)ethanamine
CID 96624175
4-methoxy-1-methyl-5-(piperidin-4-ylmethyl)indole
CID 117399776
3-(4-aminobutyl)-2-methoxyphenol
CID 117285526
4-(5-methoxy-1-methyl-3,4-dihydro-2H-quinolin-6-yl)butan-1-amine
CID 117374655
2-[6-(2-aminoethyl)-1,5-dimethoxynaphthalen-2-yl]ethanamine
CID 170886567
4-(5-fluoro-1-methylindol-6-yl)butan-1-amine
CID 115003362
4-(2-methoxy-3,5-dimethylphenyl)butan-1-amine
CID 82255348
4-(2-ethyl-3,4-dimethoxyphenyl)butan-1-amine
CID 117347670
4-(4-methoxy-1,3-benzothiazol-5-yl)butan-1-amine
CID 96590526
4-(3-fluoro-2-methoxy-5-methylphenyl)butan-1-amine
CID 117301941
4-[5-(1,1-difluoroethyl)-3-fluoro-2-methoxyphenyl]butan-1-amine
CID 117407119

Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxy-1-methylindol-5-yl)butan-1-amine?
The IUPAC name of 4-(4-methoxy-1-methylindol-5-yl)butan-1-amine (CID 117336846) is 4-(4-methoxy-1-methylindol-5-yl)butan-1-amine.
What is the SMILES notation for 4-(4-methoxy-1-methylindol-5-yl)butan-1-amine?
The canonical SMILES for 4-(4-methoxy-1-methylindol-5-yl)butan-1-amine is COc1c(CCCCN)ccc2c1ccn2C.
What is the InChIKey of 4-(4-methoxy-1-methylindol-5-yl)butan-1-amine?
The InChIKey is GXXIRHPYFRPFRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O/c1-16-10-8-12-13(16)7-6-11(14(12)17-2)5-3-4-9-15/h6-8,10H,3-5,9,15H2,1-2H3.
What are the key properties of 4-(4-methoxy-1-methylindol-5-yl)butan-1-amine?
4-(4-methoxy-1-methylindol-5-yl)butan-1-amine has a molecular weight of 232.33 g/mol, XLogP of 2.47, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxy-1-methylindol-5-yl)butan-1-amine is sourced from PubChem (CID 117336846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).