2-(1-benzyl-2-ethenylindol-3-yl)ethanamine

C19H20N2 — CID 638824

IUPAC2-(1-benzyl-2-ethenylindol-3-yl)ethanamine
SMILESC=Cc1c(CCN)c2ccccc2n1Cc1ccccc1
InChIInChI=1S/C19H20N2/c1-2-18-17(12-13-20)16-10-6-7-11-19(16)21(18)14-15-8-4-3-5-9-15/h2-11H,1,12-14,20H2
InChIKeyGDYGJISXZNPDCX-UHFFFAOYSA-N
MW276.38 g/mol
LogP3.83
Rot. Bonds5

About 2-(1-benzyl-2-ethenylindol-3-yl)ethanamine

2-(1-benzyl-2-ethenylindol-3-yl)ethanamine (PubChem CID 638824) has the molecular formula C19H20N2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 2-(1-benzyl-2-ethenylindol-3-yl)ethanamine.

Molecular Properties

Compound Name2-(1-benzyl-2-ethenylindol-3-yl)ethanamine
PubChem CID638824
Molecular FormulaC19H20N2
Molecular Weight276.38 g/mol
Exact Mass276.16
IUPAC Name2-(1-benzyl-2-ethenylindol-3-yl)ethanamine
SMILESC=Cc1c(CCN)c2ccccc2n1Cc1ccccc1
InChIInChI=1S/C19H20N2/c1-2-18-17(12-13-20)16-10-6-7-11-19(16)21(18)14-15-8-4-3-5-9-15/h2-11H,1,12-14,20H2
InChIKeyGDYGJISXZNPDCX-UHFFFAOYSA-N
XLogP3.83
TPSA30.95 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-benzylindole-2,3-diamine
CID 142192316
CID 163999461
CID 163999461
3-benzyl-1,2-bis(prop-2-enyl)indole
CID 162407224
1-[(4-ethenylphenyl)methyl]-3-[(3-phenylpropylamino)methyl]indole-2-carboxylic acid
CID 53207036
9-[(4-chlorophenyl)methyl]carbazole
CID 15206746
1-benzyl-3,1-benzoxazine-2,4-dione
CID 520756
3-[[(4-chlorophenyl)methylamino]methyl]-1-[(4-ethenylphenyl)methyl]indole-2-carboxylic acid
CID 53207354
2-(2-methyl-1-phenylindol-3-yl)ethanamine
CID 744625
1-benzyl-3-(4-nitrophenyl)-2-prop-2-enylindole
CID 134954368
2-[3-(2-aminoethyl)-2-methylindol-1-yl]acetamide
CID 54594673
1-benzyl-3-[2-(4-iodophenyl)ethyl]indole-2-carboxylic acid;ethane
CID 161400733
3-[(benzylamino)methyl]-1-[(4-chlorophenyl)methyl]indole-2-carboxylic acid
CID 53207248

Frequently Asked Questions

What is the IUPAC name of 2-(1-benzyl-2-ethenylindol-3-yl)ethanamine?
The IUPAC name of 2-(1-benzyl-2-ethenylindol-3-yl)ethanamine (CID 638824) is 2-(1-benzyl-2-ethenylindol-3-yl)ethanamine.
What is the SMILES notation for 2-(1-benzyl-2-ethenylindol-3-yl)ethanamine?
The canonical SMILES for 2-(1-benzyl-2-ethenylindol-3-yl)ethanamine is C=Cc1c(CCN)c2ccccc2n1Cc1ccccc1.
What is the InChIKey of 2-(1-benzyl-2-ethenylindol-3-yl)ethanamine?
The InChIKey is GDYGJISXZNPDCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2/c1-2-18-17(12-13-20)16-10-6-7-11-19(16)21(18)14-15-8-4-3-5-9-15/h2-11H,1,12-14,20H2.
What are the key properties of 2-(1-benzyl-2-ethenylindol-3-yl)ethanamine?
2-(1-benzyl-2-ethenylindol-3-yl)ethanamine has a molecular weight of 276.38 g/mol, XLogP of 3.83, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzyl-2-ethenylindol-3-yl)ethanamine is sourced from PubChem (CID 638824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).