2-(1-ethylindol-3-yl)-3-(3-methylphenyl)propan-1-amine

C20H24N2 — CID 83976905

IUPAC2-(1-ethylindol-3-yl)-3-(3-methylphenyl)propan-1-amine
SMILESCCn1cc(C(CN)Cc2cccc(C)c2)c2ccccc21
InChIInChI=1S/C20H24N2/c1-3-22-14-19(18-9-4-5-10-20(18)22)17(13-21)12-16-8-6-7-15(2)11-16/h4-11,14,17H,3,12-13,21H2,1-2H3
InChIKeyABTSHARQYSKJJP-UHFFFAOYSA-N
MW292.43 g/mol
LogP4.25
Rot. Bonds5

About 2-(1-ethylindol-3-yl)-3-(3-methylphenyl)propan-1-amine

2-(1-ethylindol-3-yl)-3-(3-methylphenyl)propan-1-amine (PubChem CID 83976905) has the molecular formula C20H24N2 and a molecular weight of 292.43 g/mol. Its IUPAC name is 2-(1-ethylindol-3-yl)-3-(3-methylphenyl)propan-1-amine.

Molecular Properties

Compound Name2-(1-ethylindol-3-yl)-3-(3-methylphenyl)propan-1-amine
PubChem CID83976905
Molecular FormulaC20H24N2
Molecular Weight292.43 g/mol
Exact Mass292.19
IUPAC Name2-(1-ethylindol-3-yl)-3-(3-methylphenyl)propan-1-amine
SMILESCCn1cc(C(CN)Cc2cccc(C)c2)c2ccccc21
InChIInChI=1S/C20H24N2/c1-3-22-14-19(18-9-4-5-10-20(18)22)17(13-21)12-16-8-6-7-15(2)11-16/h4-11,14,17H,3,12-13,21H2,1-2H3
InChIKeyABTSHARQYSKJJP-UHFFFAOYSA-N
XLogP4.25
TPSA30.95 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.43
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(1-ethylindol-3-yl)-3-[3-(trifluoromethyl)phenyl]propan-1-amine
CID 112539174
2-(1-ethylindol-3-yl)-2-(3-methylphenyl)ethanamine
CID 53213705
2-(1,2-dimethylindol-3-yl)-3-(3-methylphenyl)propan-1-amine
CID 83976752
2-(2,4-dimethylphenyl)-3-(3-methylphenyl)propan-1-amine
CID 83972875
2-(2-ethoxy-4,5-dimethylphenyl)-3-(3-methylphenyl)propan-1-amine
CID 83974956
3-(3-methylphenyl)-2-pyridin-2-ylpropan-1-amine
CID 82080996
(3S)-N-benzyl-N-[2-(dimethylamino)ethyl]-3-(1-ethylindol-3-yl)-3-(3-methylphenyl)propanamide
CID 93120105
N-(4-aminocyclohexyl)-3-[1-(cyclohexylmethyl)indol-3-yl]-4-(3-methylphenyl)butanamide;hydrochloride
CID 162460029
2-[5-[2-amino-1-(1-ethylindol-3-yl)ethyl]-3-methylpyrazol-1-yl]ethanol
CID 83987659
(2R)-2-methyl-3-(3-methylphenyl)propan-1-amine
CID 42325732
2-(6-chloro-1-methylindol-3-yl)-3-(3-chlorophenyl)propan-1-amine
CID 83976836
2-(1-ethylindol-3-yl)-2-thiophen-2-ylethanamine
CID 83987665

Frequently Asked Questions

What is the IUPAC name of 2-(1-ethylindol-3-yl)-3-(3-methylphenyl)propan-1-amine?
The IUPAC name of 2-(1-ethylindol-3-yl)-3-(3-methylphenyl)propan-1-amine (CID 83976905) is 2-(1-ethylindol-3-yl)-3-(3-methylphenyl)propan-1-amine.
What is the SMILES notation for 2-(1-ethylindol-3-yl)-3-(3-methylphenyl)propan-1-amine?
The canonical SMILES for 2-(1-ethylindol-3-yl)-3-(3-methylphenyl)propan-1-amine is CCn1cc(C(CN)Cc2cccc(C)c2)c2ccccc21.
What is the InChIKey of 2-(1-ethylindol-3-yl)-3-(3-methylphenyl)propan-1-amine?
The InChIKey is ABTSHARQYSKJJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2/c1-3-22-14-19(18-9-4-5-10-20(18)22)17(13-21)12-16-8-6-7-15(2)11-16/h4-11,14,17H,3,12-13,21H2,1-2H3.
What are the key properties of 2-(1-ethylindol-3-yl)-3-(3-methylphenyl)propan-1-amine?
2-(1-ethylindol-3-yl)-3-(3-methylphenyl)propan-1-amine has a molecular weight of 292.43 g/mol, XLogP of 4.25, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethylindol-3-yl)-3-(3-methylphenyl)propan-1-amine is sourced from PubChem (CID 83976905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).