3-(1-ethyl-2-methylindol-3-yl)-2-(4-methoxyphenyl)propan-1-amine

C21H26N2O — CID 83972544

IUPAC3-(1-ethyl-2-methylindol-3-yl)-2-(4-methoxyphenyl)propan-1-amine
SMILESCCn1c(C)c(CC(CN)c2ccc(OC)cc2)c2ccccc21
InChIInChI=1S/C21H26N2O/c1-4-23-15(2)20(19-7-5-6-8-21(19)23)13-17(14-22)16-9-11-18(24-3)12-10-16/h5-12,17H,4,13-14,22H2,1-3H3
InChIKeyZYEISOZFJCLZGZ-UHFFFAOYSA-N
MW322.45 g/mol
LogP4.26
Rot. Bonds6

About 3-(1-ethyl-2-methylindol-3-yl)-2-(4-methoxyphenyl)propan-1-amine

3-(1-ethyl-2-methylindol-3-yl)-2-(4-methoxyphenyl)propan-1-amine (PubChem CID 83972544) has the molecular formula C21H26N2O and a molecular weight of 322.45 g/mol. Its IUPAC name is 3-(1-ethyl-2-methylindol-3-yl)-2-(4-methoxyphenyl)propan-1-amine.

Molecular Properties

Compound Name3-(1-ethyl-2-methylindol-3-yl)-2-(4-methoxyphenyl)propan-1-amine
PubChem CID83972544
Molecular FormulaC21H26N2O
Molecular Weight322.45 g/mol
Exact Mass322.20
IUPAC Name3-(1-ethyl-2-methylindol-3-yl)-2-(4-methoxyphenyl)propan-1-amine
SMILESCCn1c(C)c(CC(CN)c2ccc(OC)cc2)c2ccccc21
InChIInChI=1S/C21H26N2O/c1-4-23-15(2)20(19-7-5-6-8-21(19)23)13-17(14-22)16-9-11-18(24-3)12-10-16/h5-12,17H,4,13-14,22H2,1-3H3
InChIKeyZYEISOZFJCLZGZ-UHFFFAOYSA-N
XLogP4.26
TPSA40.18 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.45
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

4-[1-amino-3-(1-ethyl-2-methylindol-3-yl)propan-2-yl]phenol
CID 83975448
3-(1-ethyl-2-methylindol-3-yl)-2-pyridin-2-ylpropan-1-amine
CID 83975876
3-(1,2-dimethylindol-3-yl)-2-(4-methoxy-2-methylphenyl)propan-1-amine
CID 83974234
3-(1-ethyl-2-methylindol-3-yl)-2-(5-fluoro-1H-indol-3-yl)propan-1-amine
CID 112539142
2-(4-methoxyphenyl)propane-1,3-diamine
CID 20546608
(1-ethyl-2-methylindol-3-yl)-(4-methoxyphenyl)methanone
CID 71679096
(2S)-2-(4-methoxyphenyl)butan-1-amine
CID 15215732
2-(4-methoxyphenyl)-3-methylsulfanylpropan-1-amine
CID 117245021
2,3-bis(1,2-dimethylindol-3-yl)propan-1-amine
CID 112539162
2-(4-fluorophenyl)-3-(2-methoxynaphthalen-1-yl)propan-1-amine
CID 83973798
3-amino-2-(4-methoxyphenyl)propan-1-ol
CID 75251632
(2S)-3-amino-2-(4-methoxyphenyl)propan-1-ol
CID 46911827

Frequently Asked Questions

What is the IUPAC name of 3-(1-ethyl-2-methylindol-3-yl)-2-(4-methoxyphenyl)propan-1-amine?
The IUPAC name of 3-(1-ethyl-2-methylindol-3-yl)-2-(4-methoxyphenyl)propan-1-amine (CID 83972544) is 3-(1-ethyl-2-methylindol-3-yl)-2-(4-methoxyphenyl)propan-1-amine.
What is the SMILES notation for 3-(1-ethyl-2-methylindol-3-yl)-2-(4-methoxyphenyl)propan-1-amine?
The canonical SMILES for 3-(1-ethyl-2-methylindol-3-yl)-2-(4-methoxyphenyl)propan-1-amine is CCn1c(C)c(CC(CN)c2ccc(OC)cc2)c2ccccc21.
What is the InChIKey of 3-(1-ethyl-2-methylindol-3-yl)-2-(4-methoxyphenyl)propan-1-amine?
The InChIKey is ZYEISOZFJCLZGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O/c1-4-23-15(2)20(19-7-5-6-8-21(19)23)13-17(14-22)16-9-11-18(24-3)12-10-16/h5-12,17H,4,13-14,22H2,1-3H3.
What are the key properties of 3-(1-ethyl-2-methylindol-3-yl)-2-(4-methoxyphenyl)propan-1-amine?
3-(1-ethyl-2-methylindol-3-yl)-2-(4-methoxyphenyl)propan-1-amine has a molecular weight of 322.45 g/mol, XLogP of 4.26, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-ethyl-2-methylindol-3-yl)-2-(4-methoxyphenyl)propan-1-amine is sourced from PubChem (CID 83972544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).