1-(2,5-dimethylphenyl)-N-(1H-indol-5-ylmethyl)ethanamine

C19H22N2 — CID 102909779

IUPAC1-(2,5-dimethylphenyl)-N-(1H-indol-5-ylmethyl)ethanamine
SMILESCc1ccc(C)c(C(C)NCc2ccc3[nH]ccc3c2)c1
InChIInChI=1S/C19H22N2/c1-13-4-5-14(2)18(10-13)15(3)21-12-16-6-7-19-17(11-16)8-9-20-19/h4-11,15,20-21H,12H2,1-3H3
InChIKeyXUHTUMWLHGEXIG-UHFFFAOYSA-N
MW278.40 g/mol
LogP4.64
Rot. Bonds4

About 1-(2,5-dimethylphenyl)-N-(1H-indol-5-ylmethyl)ethanamine

1-(2,5-dimethylphenyl)-N-(1H-indol-5-ylmethyl)ethanamine (PubChem CID 102909779) has the molecular formula C19H22N2 and a molecular weight of 278.40 g/mol. Its IUPAC name is 1-(2,5-dimethylphenyl)-N-(1H-indol-5-ylmethyl)ethanamine.

Molecular Properties

Compound Name1-(2,5-dimethylphenyl)-N-(1H-indol-5-ylmethyl)ethanamine
PubChem CID102909779
Molecular FormulaC19H22N2
Molecular Weight278.40 g/mol
Exact Mass278.18
IUPAC Name1-(2,5-dimethylphenyl)-N-(1H-indol-5-ylmethyl)ethanamine
SMILESCc1ccc(C)c(C(C)NCc2ccc3[nH]ccc3c2)c1
InChIInChI=1S/C19H22N2/c1-13-4-5-14(2)18(10-13)15(3)21-12-16-6-7-19-17(11-16)8-9-20-19/h4-11,15,20-21H,12H2,1-3H3
InChIKeyXUHTUMWLHGEXIG-UHFFFAOYSA-N
XLogP4.64
TPSA27.82 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 54.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethylphenyl)-N-(1H-indol-5-ylmethyl)ethanamine?
The IUPAC name of 1-(2,5-dimethylphenyl)-N-(1H-indol-5-ylmethyl)ethanamine (CID 102909779) is 1-(2,5-dimethylphenyl)-N-(1H-indol-5-ylmethyl)ethanamine.
What is the SMILES notation for 1-(2,5-dimethylphenyl)-N-(1H-indol-5-ylmethyl)ethanamine?
The canonical SMILES for 1-(2,5-dimethylphenyl)-N-(1H-indol-5-ylmethyl)ethanamine is Cc1ccc(C)c(C(C)NCc2ccc3[nH]ccc3c2)c1.
What is the InChIKey of 1-(2,5-dimethylphenyl)-N-(1H-indol-5-ylmethyl)ethanamine?
The InChIKey is XUHTUMWLHGEXIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2/c1-13-4-5-14(2)18(10-13)15(3)21-12-16-6-7-19-17(11-16)8-9-20-19/h4-11,15,20-21H,12H2,1-3H3.
What are the key properties of 1-(2,5-dimethylphenyl)-N-(1H-indol-5-ylmethyl)ethanamine?
1-(2,5-dimethylphenyl)-N-(1H-indol-5-ylmethyl)ethanamine has a molecular weight of 278.40 g/mol, XLogP of 4.64, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethylphenyl)-N-(1H-indol-5-ylmethyl)ethanamine is sourced from PubChem (CID 102909779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).