4-[2-(2,3-dimethoxyphenyl)-7-methyl-1H-indol-3-yl]butan-1-amine

C21H26N2O2 — CID 4214505

IUPAC4-[2-(2,3-dimethoxyphenyl)-7-methyl-1H-indol-3-yl]butan-1-amine
SMILESCOc1cccc(-c2[nH]c3c(C)cccc3c2CCCCN)c1OC
InChIInChI=1S/C21H26N2O2/c1-14-8-6-10-15-16(9-4-5-13-22)20(23-19(14)15)17-11-7-12-18(24-2)21(17)25-3/h6-8,10-12,23H,4-5,9,13,22H2,1-3H3
InChIKeyZLCWKDSFUFJZNB-UHFFFAOYSA-N
MW338.45 g/mol
LogP4.44
Rot. Bonds7

About 4-[2-(2,3-dimethoxyphenyl)-7-methyl-1H-indol-3-yl]butan-1-amine

4-[2-(2,3-dimethoxyphenyl)-7-methyl-1H-indol-3-yl]butan-1-amine (PubChem CID 4214505) has the molecular formula C21H26N2O2 and a molecular weight of 338.45 g/mol. Its IUPAC name is 4-[2-(2,3-dimethoxyphenyl)-7-methyl-1H-indol-3-yl]butan-1-amine.

Molecular Properties

Compound Name4-[2-(2,3-dimethoxyphenyl)-7-methyl-1H-indol-3-yl]butan-1-amine
PubChem CID4214505
Molecular FormulaC21H26N2O2
Molecular Weight338.45 g/mol
Exact Mass338.20
IUPAC Name4-[2-(2,3-dimethoxyphenyl)-7-methyl-1H-indol-3-yl]butan-1-amine
SMILESCOc1cccc(-c2[nH]c3c(C)cccc3c2CCCCN)c1OC
InChIInChI=1S/C21H26N2O2/c1-14-8-6-10-15-16(9-4-5-13-22)20(23-19(14)15)17-11-7-12-18(24-2)21(17)25-3/h6-8,10-12,23H,4-5,9,13,22H2,1-3H3
InChIKeyZLCWKDSFUFJZNB-UHFFFAOYSA-N
XLogP4.44
TPSA60.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 54.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-[2-(2-methoxy-3-methylphenyl)-5,7-dimethyl-1H-indol-3-yl]butan-1-amine
CID 3991450
4-[7-butan-2-yl-2-(2-methoxy-3-methylphenyl)-1H-indol-3-yl]butan-1-amine
CID 3933978
4-[2-(4-fluorophenyl)-7-methyl-1H-indol-3-yl]butan-1-amine
CID 4546289
4-[5,7-dichloro-2-(2-methoxy-3-methylphenyl)-1H-indol-3-yl]butan-1-amine
CID 4222400
2-[3-(4-aminobutyl)-2-(2,3-dimethoxyphenyl)-1H-indol-5-yl]acetic acid
CID 5035920
4-[5-ethyl-2-(2-methoxy-3-methylphenyl)-1H-indol-3-yl]butan-1-amine
CID 3931993
4-[7-bromo-2-(2,5-dimethoxyphenyl)-1H-indol-3-yl]butan-1-amine
CID 3259628
4-[7-chloro-2-(3-methoxynaphthalen-2-yl)-1H-indol-3-yl]butan-1-amine
CID 5037572
4-[2-(2-methoxy-3-methylphenyl)-5-phenyl-1H-indol-3-yl]butan-1-amine
CID 4545221
2-[7-methyl-2-(2,3,4-trimethoxyphenyl)-1H-indol-3-yl]acetic acid
CID 3977556
4-(7-methyl-2-pyridin-3-yl-1H-indol-3-yl)butan-1-amine
CID 5160195
4-[7-methyl-2-(3-phenoxyphenyl)-1H-indol-3-yl]butan-1-amine
CID 3895862

Frequently Asked Questions

What is the IUPAC name of 4-[2-(2,3-dimethoxyphenyl)-7-methyl-1H-indol-3-yl]butan-1-amine?
The IUPAC name of 4-[2-(2,3-dimethoxyphenyl)-7-methyl-1H-indol-3-yl]butan-1-amine (CID 4214505) is 4-[2-(2,3-dimethoxyphenyl)-7-methyl-1H-indol-3-yl]butan-1-amine.
What is the SMILES notation for 4-[2-(2,3-dimethoxyphenyl)-7-methyl-1H-indol-3-yl]butan-1-amine?
The canonical SMILES for 4-[2-(2,3-dimethoxyphenyl)-7-methyl-1H-indol-3-yl]butan-1-amine is COc1cccc(-c2[nH]c3c(C)cccc3c2CCCCN)c1OC.
What is the InChIKey of 4-[2-(2,3-dimethoxyphenyl)-7-methyl-1H-indol-3-yl]butan-1-amine?
The InChIKey is ZLCWKDSFUFJZNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O2/c1-14-8-6-10-15-16(9-4-5-13-22)20(23-19(14)15)17-11-7-12-18(24-2)21(17)25-3/h6-8,10-12,23H,4-5,9,13,22H2,1-3H3.
What are the key properties of 4-[2-(2,3-dimethoxyphenyl)-7-methyl-1H-indol-3-yl]butan-1-amine?
4-[2-(2,3-dimethoxyphenyl)-7-methyl-1H-indol-3-yl]butan-1-amine has a molecular weight of 338.45 g/mol, XLogP of 4.44, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2,3-dimethoxyphenyl)-7-methyl-1H-indol-3-yl]butan-1-amine is sourced from PubChem (CID 4214505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).