1-[2-[1-(1H-indol-5-yl)ethenyl]phenyl]-N,N-dimethylmethanamine

C19H20N2 — CID 89110567

IUPAC1-[2-[1-(1H-indol-5-yl)ethenyl]phenyl]-N,N-dimethylmethanamine
SMILESC=C(c1ccc2[nH]ccc2c1)c1ccccc1CN(C)C
InChIInChI=1S/C19H20N2/c1-14(15-8-9-19-16(12-15)10-11-20-19)18-7-5-4-6-17(18)13-21(2)3/h4-12,20H,1,13H2,2-3H3
InChIKeyPGSFWKFXRXHTKG-UHFFFAOYSA-N
MW276.38 g/mol
LogP4.29
Rot. Bonds4

About 1-[2-[1-(1H-indol-5-yl)ethenyl]phenyl]-N,N-dimethylmethanamine

1-[2-[1-(1H-indol-5-yl)ethenyl]phenyl]-N,N-dimethylmethanamine (PubChem CID 89110567) has the molecular formula C19H20N2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 1-[2-[1-(1H-indol-5-yl)ethenyl]phenyl]-N,N-dimethylmethanamine.

Molecular Properties

Compound Name1-[2-[1-(1H-indol-5-yl)ethenyl]phenyl]-N,N-dimethylmethanamine
PubChem CID89110567
Molecular FormulaC19H20N2
Molecular Weight276.38 g/mol
Exact Mass276.16
IUPAC Name1-[2-[1-(1H-indol-5-yl)ethenyl]phenyl]-N,N-dimethylmethanamine
SMILESC=C(c1ccc2[nH]ccc2c1)c1ccccc1CN(C)C
InChIInChI=1S/C19H20N2/c1-14(15-8-9-19-16(12-15)10-11-20-19)18-7-5-4-6-17(18)13-21(2)3/h4-12,20H,1,13H2,2-3H3
InChIKeyPGSFWKFXRXHTKG-UHFFFAOYSA-N
XLogP4.29
TPSA19.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[1-(1H-indol-5-yl)ethenyl]phenyl]-N,N-dimethylmethanamine?
The IUPAC name of 1-[2-[1-(1H-indol-5-yl)ethenyl]phenyl]-N,N-dimethylmethanamine (CID 89110567) is 1-[2-[1-(1H-indol-5-yl)ethenyl]phenyl]-N,N-dimethylmethanamine.
What is the SMILES notation for 1-[2-[1-(1H-indol-5-yl)ethenyl]phenyl]-N,N-dimethylmethanamine?
The canonical SMILES for 1-[2-[1-(1H-indol-5-yl)ethenyl]phenyl]-N,N-dimethylmethanamine is C=C(c1ccc2[nH]ccc2c1)c1ccccc1CN(C)C.
What is the InChIKey of 1-[2-[1-(1H-indol-5-yl)ethenyl]phenyl]-N,N-dimethylmethanamine?
The InChIKey is PGSFWKFXRXHTKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2/c1-14(15-8-9-19-16(12-15)10-11-20-19)18-7-5-4-6-17(18)13-21(2)3/h4-12,20H,1,13H2,2-3H3.
What are the key properties of 1-[2-[1-(1H-indol-5-yl)ethenyl]phenyl]-N,N-dimethylmethanamine?
1-[2-[1-(1H-indol-5-yl)ethenyl]phenyl]-N,N-dimethylmethanamine has a molecular weight of 276.38 g/mol, XLogP of 4.29, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[1-(1H-indol-5-yl)ethenyl]phenyl]-N,N-dimethylmethanamine is sourced from PubChem (CID 89110567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).