4-(3,5-dichlorophenyl)-2-(1H-indol-2-yl)aniline;hydrochloride

C20H15Cl3N2 — CID 44533154

IUPAC4-(3,5-dichlorophenyl)-2-(1H-indol-2-yl)aniline;hydrochloride
SMILESCl.Nc1ccc(-c2cc(Cl)cc(Cl)c2)cc1-c1cc2ccccc2[nH]1
InChIInChI=1S/C20H14Cl2N2.ClH/c21-15-7-14(8-16(22)11-15)12-5-6-18(23)17(9-12)20-10-13-3-1-2-4-19(13)24-20;/h1-11,24H,23H2;1H
InChIKeyYHMJXRAGJXQQGT-UHFFFAOYSA-N
MW389.71 g/mol
LogP6.81
Rot. Bonds2

About 4-(3,5-dichlorophenyl)-2-(1H-indol-2-yl)aniline;hydrochloride

4-(3,5-dichlorophenyl)-2-(1H-indol-2-yl)aniline;hydrochloride (PubChem CID 44533154) has the molecular formula C20H15Cl3N2 and a molecular weight of 389.71 g/mol. Its IUPAC name is 4-(3,5-dichlorophenyl)-2-(1H-indol-2-yl)aniline;hydrochloride.

Molecular Properties

Compound Name4-(3,5-dichlorophenyl)-2-(1H-indol-2-yl)aniline;hydrochloride
PubChem CID44533154
Molecular FormulaC20H15Cl3N2
Molecular Weight389.71 g/mol
Exact Mass388.03
IUPAC Name4-(3,5-dichlorophenyl)-2-(1H-indol-2-yl)aniline;hydrochloride
SMILESCl.Nc1ccc(-c2cc(Cl)cc(Cl)c2)cc1-c1cc2ccccc2[nH]1
InChIInChI=1S/C20H14Cl2N2.ClH/c21-15-7-14(8-16(22)11-15)12-5-6-18(23)17(9-12)20-10-13-3-1-2-4-19(13)24-20;/h1-11,24H,23H2;1H
InChIKeyYHMJXRAGJXQQGT-UHFFFAOYSA-N
XLogP6.81
TPSA41.81 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.71
LogP ≤ 56.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(3,5-dichlorophenyl)-2-(1H-indol-2-yl)aniline;hydrochloride?
The IUPAC name of 4-(3,5-dichlorophenyl)-2-(1H-indol-2-yl)aniline;hydrochloride (CID 44533154) is 4-(3,5-dichlorophenyl)-2-(1H-indol-2-yl)aniline;hydrochloride.
What is the SMILES notation for 4-(3,5-dichlorophenyl)-2-(1H-indol-2-yl)aniline;hydrochloride?
The canonical SMILES for 4-(3,5-dichlorophenyl)-2-(1H-indol-2-yl)aniline;hydrochloride is Cl.Nc1ccc(-c2cc(Cl)cc(Cl)c2)cc1-c1cc2ccccc2[nH]1.
What is the InChIKey of 4-(3,5-dichlorophenyl)-2-(1H-indol-2-yl)aniline;hydrochloride?
The InChIKey is YHMJXRAGJXQQGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14Cl2N2.ClH/c21-15-7-14(8-16(22)11-15)12-5-6-18(23)17(9-12)20-10-13-3-1-2-4-19(13)24-20;/h1-11,24H,23H2;1H.
What are the key properties of 4-(3,5-dichlorophenyl)-2-(1H-indol-2-yl)aniline;hydrochloride?
4-(3,5-dichlorophenyl)-2-(1H-indol-2-yl)aniline;hydrochloride has a molecular weight of 389.71 g/mol, XLogP of 6.81, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,5-dichlorophenyl)-2-(1H-indol-2-yl)aniline;hydrochloride is sourced from PubChem (CID 44533154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).