2-(3-aminophenyl)-1-ethyl-5-(3-methoxyphenyl)indol-3-amine

C23H23N3O — CID 89024367

IUPAC2-(3-aminophenyl)-1-ethyl-5-(3-methoxyphenyl)indol-3-amine
SMILESCCn1c(-c2cccc(N)c2)c(N)c2cc(-c3cccc(OC)c3)ccc21
InChIInChI=1S/C23H23N3O/c1-3-26-21-11-10-16(15-6-5-9-19(13-15)27-2)14-20(21)22(25)23(26)17-7-4-8-18(24)12-17/h4-14H,3,24-25H2,1-2H3
InChIKeyJSCPEPSZODYDCV-UHFFFAOYSA-N
MW357.46 g/mol
LogP5.17
Rot. Bonds4

About 2-(3-aminophenyl)-1-ethyl-5-(3-methoxyphenyl)indol-3-amine

2-(3-aminophenyl)-1-ethyl-5-(3-methoxyphenyl)indol-3-amine (PubChem CID 89024367) has the molecular formula C23H23N3O and a molecular weight of 357.46 g/mol. Its IUPAC name is 2-(3-aminophenyl)-1-ethyl-5-(3-methoxyphenyl)indol-3-amine.

Molecular Properties

Compound Name2-(3-aminophenyl)-1-ethyl-5-(3-methoxyphenyl)indol-3-amine
PubChem CID89024367
Molecular FormulaC23H23N3O
Molecular Weight357.46 g/mol
Exact Mass357.18
IUPAC Name2-(3-aminophenyl)-1-ethyl-5-(3-methoxyphenyl)indol-3-amine
SMILESCCn1c(-c2cccc(N)c2)c(N)c2cc(-c3cccc(OC)c3)ccc21
InChIInChI=1S/C23H23N3O/c1-3-26-21-11-10-16(15-6-5-9-19(13-15)27-2)14-20(21)22(25)23(26)17-7-4-8-18(24)12-17/h4-14H,3,24-25H2,1-2H3
InChIKeyJSCPEPSZODYDCV-UHFFFAOYSA-N
XLogP5.17
TPSA66.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500357.46
LogP ≤ 55.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(4-aminophenyl)-1-ethyl-5-methoxyindol-3-amine
CID 89024435
3-chloropropyl N-[3-(3-amino-1-ethyl-5-methoxyindol-2-yl)phenyl]carbamate
CID 89024430
2-(1-benzofuran-5-yl)-1-ethyl-6-methoxyindol-3-amine
CID 70844181
phenyl N-[3-(3-amino-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate
CID 89024512
3-[2-methoxy-6-(3-methoxyphenyl)naphthalen-1-yl]aniline
CID 50942707
propyl N-[3-(3-amino-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate
CID 70844655
3-amino-2-[3-(diethylsulfamoylamino)phenyl]-1-ethyl-6-methoxyindole
CID 70844186
9-ethyl-3-phenyl-6-(3-phenylphenyl)carbazole
CID 167189399
prop-2-enyl N-[3-(3-amino-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate
CID 89024519
1-ethyl-2-(4-methoxyphenyl)-6-(trifluoromethyl)indol-3-amine
CID 70844875
[4-(3-methoxyphenyl)phenyl]methanamine;hydrochloride
CID 71432523
3-methoxyaniline;sulfane
CID 174447811

Frequently Asked Questions

What is the IUPAC name of 2-(3-aminophenyl)-1-ethyl-5-(3-methoxyphenyl)indol-3-amine?
The IUPAC name of 2-(3-aminophenyl)-1-ethyl-5-(3-methoxyphenyl)indol-3-amine (CID 89024367) is 2-(3-aminophenyl)-1-ethyl-5-(3-methoxyphenyl)indol-3-amine.
What is the SMILES notation for 2-(3-aminophenyl)-1-ethyl-5-(3-methoxyphenyl)indol-3-amine?
The canonical SMILES for 2-(3-aminophenyl)-1-ethyl-5-(3-methoxyphenyl)indol-3-amine is CCn1c(-c2cccc(N)c2)c(N)c2cc(-c3cccc(OC)c3)ccc21.
What is the InChIKey of 2-(3-aminophenyl)-1-ethyl-5-(3-methoxyphenyl)indol-3-amine?
The InChIKey is JSCPEPSZODYDCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O/c1-3-26-21-11-10-16(15-6-5-9-19(13-15)27-2)14-20(21)22(25)23(26)17-7-4-8-18(24)12-17/h4-14H,3,24-25H2,1-2H3.
What are the key properties of 2-(3-aminophenyl)-1-ethyl-5-(3-methoxyphenyl)indol-3-amine?
2-(3-aminophenyl)-1-ethyl-5-(3-methoxyphenyl)indol-3-amine has a molecular weight of 357.46 g/mol, XLogP of 5.17, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminophenyl)-1-ethyl-5-(3-methoxyphenyl)indol-3-amine is sourced from PubChem (CID 89024367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).