2-(1-ethylindol-3-yl)-2-(3-methylphenyl)ethanamine

C19H22N2 — CID 53213705

IUPAC2-(1-ethylindol-3-yl)-2-(3-methylphenyl)ethanamine
SMILESCCn1cc(C(CN)c2cccc(C)c2)c2ccccc21
InChIInChI=1S/C19H22N2/c1-3-21-13-18(16-9-4-5-10-19(16)21)17(12-20)15-8-6-7-14(2)11-15/h4-11,13,17H,3,12,20H2,1-2H3
InChIKeyATOOEVFBBKHZNF-UHFFFAOYSA-N
MW278.40 g/mol
LogP4.06
Rot. Bonds4

About 2-(1-ethylindol-3-yl)-2-(3-methylphenyl)ethanamine

2-(1-ethylindol-3-yl)-2-(3-methylphenyl)ethanamine (PubChem CID 53213705) has the molecular formula C19H22N2 and a molecular weight of 278.40 g/mol. Its IUPAC name is 2-(1-ethylindol-3-yl)-2-(3-methylphenyl)ethanamine.

Molecular Properties

Compound Name2-(1-ethylindol-3-yl)-2-(3-methylphenyl)ethanamine
PubChem CID53213705
Molecular FormulaC19H22N2
Molecular Weight278.40 g/mol
Exact Mass278.18
IUPAC Name2-(1-ethylindol-3-yl)-2-(3-methylphenyl)ethanamine
SMILESCCn1cc(C(CN)c2cccc(C)c2)c2ccccc21
InChIInChI=1S/C19H22N2/c1-3-21-13-18(16-9-4-5-10-19(16)21)17(12-20)15-8-6-7-14(2)11-15/h4-11,13,17H,3,12,20H2,1-2H3
InChIKeyATOOEVFBBKHZNF-UHFFFAOYSA-N
XLogP4.06
TPSA30.95 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(1-ethylindol-3-yl)-3-(3-methylphenyl)propan-1-amine
CID 83976905
2-(1-ethylindol-3-yl)-2-thiophen-2-ylethanamine
CID 83987665
(3S)-N-benzyl-N-[2-(dimethylamino)ethyl]-3-(1-ethylindol-3-yl)-3-(3-methylphenyl)propanamide
CID 93120105
2-[5-[2-amino-1-(1-ethylindol-3-yl)ethyl]-3-methylpyrazol-1-yl]ethanol
CID 83987659
3-(1-methylindol-3-yl)-3-(3-methylphenyl)propanoic acid
CID 3542496
(3R)-N-[(2S)-butan-2-yl]-3-(3-methylphenyl)-3-[1-[(4-methylphenyl)methyl]indol-3-yl]propanamide
CID 93114906
1-[3-[1-(cyclohexylmethyl)indol-3-yl]-3-(3-methylphenyl)propyl]piperidin-4-amine;methane
CID 160945637
N-[[4-(aminomethyl)cyclohexyl]methyl]-3-[1-(cyclohexylmethyl)indol-3-yl]-3-(3-methylphenyl)propan-1-amine
CID 142579399
N-[3-[1-(cyclopentylmethyl)indol-3-yl]-3-(3-methylphenyl)propyl]cyclohexanamine
CID 142579745
(3R)-N-[(4-fluorophenyl)methyl]-3-[1-[(4-fluorophenyl)methyl]indol-3-yl]-3-(3-methylphenyl)propanamide
CID 92957100
(3S)-3-[1-[(4-fluorophenyl)methyl]indol-3-yl]-3-(3-methylphenyl)-N-propylpropanamide
CID 92961416
3-(3-methylphenyl)-3-[1-[(4-methylphenyl)methyl]indol-3-yl]-1-piperidin-1-ylpropan-1-one
CID 3980086

Frequently Asked Questions

What is the IUPAC name of 2-(1-ethylindol-3-yl)-2-(3-methylphenyl)ethanamine?
The IUPAC name of 2-(1-ethylindol-3-yl)-2-(3-methylphenyl)ethanamine (CID 53213705) is 2-(1-ethylindol-3-yl)-2-(3-methylphenyl)ethanamine.
What is the SMILES notation for 2-(1-ethylindol-3-yl)-2-(3-methylphenyl)ethanamine?
The canonical SMILES for 2-(1-ethylindol-3-yl)-2-(3-methylphenyl)ethanamine is CCn1cc(C(CN)c2cccc(C)c2)c2ccccc21.
What is the InChIKey of 2-(1-ethylindol-3-yl)-2-(3-methylphenyl)ethanamine?
The InChIKey is ATOOEVFBBKHZNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2/c1-3-21-13-18(16-9-4-5-10-19(16)21)17(12-20)15-8-6-7-14(2)11-15/h4-11,13,17H,3,12,20H2,1-2H3.
What are the key properties of 2-(1-ethylindol-3-yl)-2-(3-methylphenyl)ethanamine?
2-(1-ethylindol-3-yl)-2-(3-methylphenyl)ethanamine has a molecular weight of 278.40 g/mol, XLogP of 4.06, 4 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)-2-(3-methylphenyl)ethanamine is sourced from PubChem (CID 53213705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).