3-(4-ethoxyphenyl)-N-[(4-ethylphenyl)methyl]-1H-indol-6-amine

C25H26N2O — CID 71520877

IUPAC3-(4-ethoxyphenyl)-N-[(4-ethylphenyl)methyl]-1H-indol-6-amine
SMILESCCOc1ccc(-c2c[nH]c3cc(NCc4ccc(CC)cc4)ccc23)cc1
InChIInChI=1S/C25H26N2O/c1-3-18-5-7-19(8-6-18)16-26-21-11-14-23-24(17-27-25(23)15-21)20-9-12-22(13-10-20)28-4-2/h5-15,17,26-27H,3-4,16H2,1-2H3
InChIKeySUDQKMASUNBASY-UHFFFAOYSA-N
MW370.50 g/mol
LogP6.41
Rot. Bonds7

About 3-(4-ethoxyphenyl)-N-[(4-ethylphenyl)methyl]-1H-indol-6-amine

3-(4-ethoxyphenyl)-N-[(4-ethylphenyl)methyl]-1H-indol-6-amine (PubChem CID 71520877) has the molecular formula C25H26N2O and a molecular weight of 370.50 g/mol. Its IUPAC name is 3-(4-ethoxyphenyl)-N-[(4-ethylphenyl)methyl]-1H-indol-6-amine.

Molecular Properties

Compound Name3-(4-ethoxyphenyl)-N-[(4-ethylphenyl)methyl]-1H-indol-6-amine
PubChem CID71520877
Molecular FormulaC25H26N2O
Molecular Weight370.50 g/mol
Exact Mass370.20
IUPAC Name3-(4-ethoxyphenyl)-N-[(4-ethylphenyl)methyl]-1H-indol-6-amine
SMILESCCOc1ccc(-c2c[nH]c3cc(NCc4ccc(CC)cc4)ccc23)cc1
InChIInChI=1S/C25H26N2O/c1-3-18-5-7-19(8-6-18)16-26-21-11-14-23-24(17-27-25(23)15-21)20-9-12-22(13-10-20)28-4-2/h5-15,17,26-27H,3-4,16H2,1-2H3
InChIKeySUDQKMASUNBASY-UHFFFAOYSA-N
XLogP6.41
TPSA37.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.50
LogP ≤ 56.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(4-ethoxyphenyl)-N-[(4-ethylphenyl)methyl]-1H-indol-6-amine?
The IUPAC name of 3-(4-ethoxyphenyl)-N-[(4-ethylphenyl)methyl]-1H-indol-6-amine (CID 71520877) is 3-(4-ethoxyphenyl)-N-[(4-ethylphenyl)methyl]-1H-indol-6-amine.
What is the SMILES notation for 3-(4-ethoxyphenyl)-N-[(4-ethylphenyl)methyl]-1H-indol-6-amine?
The canonical SMILES for 3-(4-ethoxyphenyl)-N-[(4-ethylphenyl)methyl]-1H-indol-6-amine is CCOc1ccc(-c2c[nH]c3cc(NCc4ccc(CC)cc4)ccc23)cc1.
What is the InChIKey of 3-(4-ethoxyphenyl)-N-[(4-ethylphenyl)methyl]-1H-indol-6-amine?
The InChIKey is SUDQKMASUNBASY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N2O/c1-3-18-5-7-19(8-6-18)16-26-21-11-14-23-24(17-27-25(23)15-21)20-9-12-22(13-10-20)28-4-2/h5-15,17,26-27H,3-4,16H2,1-2H3.
What are the key properties of 3-(4-ethoxyphenyl)-N-[(4-ethylphenyl)methyl]-1H-indol-6-amine?
3-(4-ethoxyphenyl)-N-[(4-ethylphenyl)methyl]-1H-indol-6-amine has a molecular weight of 370.50 g/mol, XLogP of 6.41, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-ethoxyphenyl)-N-[(4-ethylphenyl)methyl]-1H-indol-6-amine is sourced from PubChem (CID 71520877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).