2-[1-[(2,4-dichlorophenyl)methyl]-2,5-dimethylindol-3-yl]ethanamine

C19H20Cl2N2 — CID 130187744

IUPAC2-[1-[(2,4-dichlorophenyl)methyl]-2,5-dimethylindol-3-yl]ethanamine
SMILESCc1ccc2c(c1)c(CCN)c(C)n2Cc1ccc(Cl)cc1Cl
InChIInChI=1S/C19H20Cl2N2/c1-12-3-6-19-17(9-12)16(7-8-22)13(2)23(19)11-14-4-5-15(20)10-18(14)21/h3-6,9-10H,7-8,11,22H2,1-2H3
InChIKeyXFQSZFQXQCAQKI-UHFFFAOYSA-N
MW347.29 g/mol
LogP5.11
Rot. Bonds4

About 2-[1-[(2,4-dichlorophenyl)methyl]-2,5-dimethylindol-3-yl]ethanamine

2-[1-[(2,4-dichlorophenyl)methyl]-2,5-dimethylindol-3-yl]ethanamine (PubChem CID 130187744) has the molecular formula C19H20Cl2N2 and a molecular weight of 347.29 g/mol. Its IUPAC name is 2-[1-[(2,4-dichlorophenyl)methyl]-2,5-dimethylindol-3-yl]ethanamine.

Molecular Properties

Compound Name2-[1-[(2,4-dichlorophenyl)methyl]-2,5-dimethylindol-3-yl]ethanamine
PubChem CID130187744
Molecular FormulaC19H20Cl2N2
Molecular Weight347.29 g/mol
Exact Mass346.10
IUPAC Name2-[1-[(2,4-dichlorophenyl)methyl]-2,5-dimethylindol-3-yl]ethanamine
SMILESCc1ccc2c(c1)c(CCN)c(C)n2Cc1ccc(Cl)cc1Cl
InChIInChI=1S/C19H20Cl2N2/c1-12-3-6-19-17(9-12)16(7-8-22)13(2)23(19)11-14-4-5-15(20)10-18(14)21/h3-6,9-10H,7-8,11,22H2,1-2H3
InChIKeyXFQSZFQXQCAQKI-UHFFFAOYSA-N
XLogP5.11
TPSA30.95 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500347.29
LogP ≤ 55.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[(2,4-dichlorophenyl)methyl]-2,5-dimethylindol-3-yl]ethanamine?
The IUPAC name of 2-[1-[(2,4-dichlorophenyl)methyl]-2,5-dimethylindol-3-yl]ethanamine (CID 130187744) is 2-[1-[(2,4-dichlorophenyl)methyl]-2,5-dimethylindol-3-yl]ethanamine.
What is the SMILES notation for 2-[1-[(2,4-dichlorophenyl)methyl]-2,5-dimethylindol-3-yl]ethanamine?
The canonical SMILES for 2-[1-[(2,4-dichlorophenyl)methyl]-2,5-dimethylindol-3-yl]ethanamine is Cc1ccc2c(c1)c(CCN)c(C)n2Cc1ccc(Cl)cc1Cl.
What is the InChIKey of 2-[1-[(2,4-dichlorophenyl)methyl]-2,5-dimethylindol-3-yl]ethanamine?
The InChIKey is XFQSZFQXQCAQKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20Cl2N2/c1-12-3-6-19-17(9-12)16(7-8-22)13(2)23(19)11-14-4-5-15(20)10-18(14)21/h3-6,9-10H,7-8,11,22H2,1-2H3.
What are the key properties of 2-[1-[(2,4-dichlorophenyl)methyl]-2,5-dimethylindol-3-yl]ethanamine?
2-[1-[(2,4-dichlorophenyl)methyl]-2,5-dimethylindol-3-yl]ethanamine has a molecular weight of 347.29 g/mol, XLogP of 5.11, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(2,4-dichlorophenyl)methyl]-2,5-dimethylindol-3-yl]ethanamine is sourced from PubChem (CID 130187744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).