4-[7-ethyl-2-(4-ethylphenyl)-1H-indol-3-yl]butan-1-amine

C22H28N2 — CID 5034856

IUPAC4-[7-ethyl-2-(4-ethylphenyl)-1H-indol-3-yl]butan-1-amine
SMILESCCc1ccc(-c2[nH]c3c(CC)cccc3c2CCCCN)cc1
InChIInChI=1S/C22H28N2/c1-3-16-11-13-18(14-12-16)22-19(9-5-6-15-23)20-10-7-8-17(4-2)21(20)24-22/h7-8,10-14,24H,3-6,9,15,23H2,1-2H3
InChIKeyNRPQFCDNEVIIHD-UHFFFAOYSA-N
MW320.48 g/mol
LogP5.24
Rot. Bonds7

About 4-[7-ethyl-2-(4-ethylphenyl)-1H-indol-3-yl]butan-1-amine

4-[7-ethyl-2-(4-ethylphenyl)-1H-indol-3-yl]butan-1-amine (PubChem CID 5034856) has the molecular formula C22H28N2 and a molecular weight of 320.48 g/mol. Its IUPAC name is 4-[7-ethyl-2-(4-ethylphenyl)-1H-indol-3-yl]butan-1-amine.

Molecular Properties

Compound Name4-[7-ethyl-2-(4-ethylphenyl)-1H-indol-3-yl]butan-1-amine
PubChem CID5034856
Molecular FormulaC22H28N2
Molecular Weight320.48 g/mol
Exact Mass320.23
IUPAC Name4-[7-ethyl-2-(4-ethylphenyl)-1H-indol-3-yl]butan-1-amine
SMILESCCc1ccc(-c2[nH]c3c(CC)cccc3c2CCCCN)cc1
InChIInChI=1S/C22H28N2/c1-3-16-11-13-18(14-12-16)22-19(9-5-6-15-23)20-10-7-8-17(4-2)21(20)24-22/h7-8,10-14,24H,3-6,9,15,23H2,1-2H3
InChIKeyNRPQFCDNEVIIHD-UHFFFAOYSA-N
XLogP5.24
TPSA41.81 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500320.48
LogP ≤ 55.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-[7-bromo-2-(4-ethylphenyl)-1H-indol-3-yl]butan-1-amine
CID 5138431
2-[7-ethyl-2-(4-ethylphenyl)-1H-indol-3-yl]acetic acid
CID 4211114
4-[7-butyl-2-(4-methoxyphenyl)-1H-indol-3-yl]butan-1-amine
CID 3541792
4-[2-(2,4-dichlorophenyl)-7-ethyl-1H-indol-3-yl]butan-1-amine
CID 4012865
4-[2-(4-fluorophenyl)-7-methyl-1H-indol-3-yl]butan-1-amine
CID 4546289
4-[5-chloro-2-(4-ethylphenyl)-1H-indol-3-yl]butan-1-amine
CID 3990175
4-[2-(3-chloro-4-pyridinyl)-7-ethyl-1H-indol-3-yl]butan-1-amine
CID 4211375
4-[7-ethyl-2-(1-methylbenzimidazol-2-yl)-1H-indol-3-yl]butan-1-amine
CID 4275710
4-[5-chloro-2-(4-ethylphenyl)-7-(trifluoromethyl)-1H-indol-3-yl]butan-1-amine
CID 3500746
4-[2-(4-tert-butylphenyl)-7-chloro-1H-indol-3-yl]butan-1-amine
CID 4574426
4-[3-(4-aminobutyl)-5-ethyl-1H-indol-2-yl]-N,N-dimethylaniline
CID 3525871
4-[2-(1,3-benzodioxol-5-yl)-7-fluoro-1H-indol-3-yl]butan-1-amine
CID 3270834

Frequently Asked Questions

What is the IUPAC name of 4-[7-ethyl-2-(4-ethylphenyl)-1H-indol-3-yl]butan-1-amine?
The IUPAC name of 4-[7-ethyl-2-(4-ethylphenyl)-1H-indol-3-yl]butan-1-amine (CID 5034856) is 4-[7-ethyl-2-(4-ethylphenyl)-1H-indol-3-yl]butan-1-amine.
What is the SMILES notation for 4-[7-ethyl-2-(4-ethylphenyl)-1H-indol-3-yl]butan-1-amine?
The canonical SMILES for 4-[7-ethyl-2-(4-ethylphenyl)-1H-indol-3-yl]butan-1-amine is CCc1ccc(-c2[nH]c3c(CC)cccc3c2CCCCN)cc1.
What is the InChIKey of 4-[7-ethyl-2-(4-ethylphenyl)-1H-indol-3-yl]butan-1-amine?
The InChIKey is NRPQFCDNEVIIHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2/c1-3-16-11-13-18(14-12-16)22-19(9-5-6-15-23)20-10-7-8-17(4-2)21(20)24-22/h7-8,10-14,24H,3-6,9,15,23H2,1-2H3.
What are the key properties of 4-[7-ethyl-2-(4-ethylphenyl)-1H-indol-3-yl]butan-1-amine?
4-[7-ethyl-2-(4-ethylphenyl)-1H-indol-3-yl]butan-1-amine has a molecular weight of 320.48 g/mol, XLogP of 5.24, 7 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[7-ethyl-2-(4-ethylphenyl)-1H-indol-3-yl]butan-1-amine is sourced from PubChem (CID 5034856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).