1-(4-ethoxyphenyl)-N-[(4-ethylphenyl)methyl]indol-5-amine

C25H26N2O — CID 71520876

IUPAC1-(4-ethoxyphenyl)-N-[(4-ethylphenyl)methyl]indol-5-amine
SMILESCCOc1ccc(-n2ccc3cc(NCc4ccc(CC)cc4)ccc32)cc1
InChIInChI=1S/C25H26N2O/c1-3-19-5-7-20(8-6-19)18-26-22-9-14-25-21(17-22)15-16-27(25)23-10-12-24(13-11-23)28-4-2/h5-17,26H,3-4,18H2,1-2H3
InChIKeyYAZYNFTXSMINHB-UHFFFAOYSA-N
MW370.50 g/mol
LogP6.20
Rot. Bonds7

About 1-(4-ethoxyphenyl)-N-[(4-ethylphenyl)methyl]indol-5-amine

1-(4-ethoxyphenyl)-N-[(4-ethylphenyl)methyl]indol-5-amine (PubChem CID 71520876) has the molecular formula C25H26N2O and a molecular weight of 370.50 g/mol. Its IUPAC name is 1-(4-ethoxyphenyl)-N-[(4-ethylphenyl)methyl]indol-5-amine.

Molecular Properties

Compound Name1-(4-ethoxyphenyl)-N-[(4-ethylphenyl)methyl]indol-5-amine
PubChem CID71520876
Molecular FormulaC25H26N2O
Molecular Weight370.50 g/mol
Exact Mass370.20
IUPAC Name1-(4-ethoxyphenyl)-N-[(4-ethylphenyl)methyl]indol-5-amine
SMILESCCOc1ccc(-n2ccc3cc(NCc4ccc(CC)cc4)ccc32)cc1
InChIInChI=1S/C25H26N2O/c1-3-19-5-7-20(8-6-19)18-26-22-9-14-25-21(17-22)15-16-27(25)23-10-12-24(13-11-23)28-4-2/h5-17,26H,3-4,18H2,1-2H3
InChIKeyYAZYNFTXSMINHB-UHFFFAOYSA-N
XLogP6.20
TPSA26.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.50
LogP ≤ 56.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-ethoxyphenyl)-N-[(4-ethylphenyl)methyl]indol-5-amine?
The IUPAC name of 1-(4-ethoxyphenyl)-N-[(4-ethylphenyl)methyl]indol-5-amine (CID 71520876) is 1-(4-ethoxyphenyl)-N-[(4-ethylphenyl)methyl]indol-5-amine.
What is the SMILES notation for 1-(4-ethoxyphenyl)-N-[(4-ethylphenyl)methyl]indol-5-amine?
The canonical SMILES for 1-(4-ethoxyphenyl)-N-[(4-ethylphenyl)methyl]indol-5-amine is CCOc1ccc(-n2ccc3cc(NCc4ccc(CC)cc4)ccc32)cc1.
What is the InChIKey of 1-(4-ethoxyphenyl)-N-[(4-ethylphenyl)methyl]indol-5-amine?
The InChIKey is YAZYNFTXSMINHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N2O/c1-3-19-5-7-20(8-6-19)18-26-22-9-14-25-21(17-22)15-16-27(25)23-10-12-24(13-11-23)28-4-2/h5-17,26H,3-4,18H2,1-2H3.
What are the key properties of 1-(4-ethoxyphenyl)-N-[(4-ethylphenyl)methyl]indol-5-amine?
1-(4-ethoxyphenyl)-N-[(4-ethylphenyl)methyl]indol-5-amine has a molecular weight of 370.50 g/mol, XLogP of 6.20, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethoxyphenyl)-N-[(4-ethylphenyl)methyl]indol-5-amine is sourced from PubChem (CID 71520876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).