1-[(3,4-dichlorophenyl)methyl]-5-methyl-2,3-dihydroindol-6-amine

C16H16Cl2N2 — CID 83213196

IUPAC1-[(3,4-dichlorophenyl)methyl]-5-methyl-2,3-dihydroindol-6-amine
SMILESCc1cc2c(cc1N)N(Cc1ccc(Cl)c(Cl)c1)CC2
InChIInChI=1S/C16H16Cl2N2/c1-10-6-12-4-5-20(16(12)8-15(10)19)9-11-2-3-13(17)14(18)7-11/h2-3,6-8H,4-5,9,19H2,1H3
InChIKeyNRLWGVXYZYIXHB-UHFFFAOYSA-N
MW307.22 g/mol
LogP4.45
Rot. Bonds2

About 1-[(3,4-dichlorophenyl)methyl]-5-methyl-2,3-dihydroindol-6-amine

1-[(3,4-dichlorophenyl)methyl]-5-methyl-2,3-dihydroindol-6-amine (PubChem CID 83213196) has the molecular formula C16H16Cl2N2 and a molecular weight of 307.22 g/mol. Its IUPAC name is 1-[(3,4-dichlorophenyl)methyl]-5-methyl-2,3-dihydroindol-6-amine.

Molecular Properties

Compound Name1-[(3,4-dichlorophenyl)methyl]-5-methyl-2,3-dihydroindol-6-amine
PubChem CID83213196
Molecular FormulaC16H16Cl2N2
Molecular Weight307.22 g/mol
Exact Mass306.07
IUPAC Name1-[(3,4-dichlorophenyl)methyl]-5-methyl-2,3-dihydroindol-6-amine
SMILESCc1cc2c(cc1N)N(Cc1ccc(Cl)c(Cl)c1)CC2
InChIInChI=1S/C16H16Cl2N2/c1-10-6-12-4-5-20(16(12)8-15(10)19)9-11-2-3-13(17)14(18)7-11/h2-3,6-8H,4-5,9,19H2,1H3
InChIKeyNRLWGVXYZYIXHB-UHFFFAOYSA-N
XLogP4.45
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.22
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-[(3,4-dichlorophenyl)methyl]-5-methyl-2,3-dihydroindol-6-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(3-bromo-4-fluorophenyl)methyl]-5-methyl-2,3-dihydroindol-6-amine
CID 83213115
1-[(2-chloro-4-methylphenyl)methyl]-5-methyl-2,3-dihydroindol-6-amine
CID 106864235
1-[(3-bromo-4-methoxyphenyl)methyl]-5-methyl-2,3-dihydroindol-6-amine
CID 83209891
1-[(2-chloro-3-fluorophenyl)methyl]-5-methyl-2,3-dihydroindol-6-amine
CID 115983059
1-[(2-bromophenyl)methyl]-5-methyl-2,3-dihydroindol-6-amine
CID 83212879
5-methyl-1-[(1-propan-2-ylpyrazol-3-yl)methyl]-2,3-dihydroindol-6-amine
CID 83213449
1-[(3-bromothiophen-2-yl)methyl]-5-methyl-2,3-dihydroindol-6-amine
CID 83212288
2-(6-amino-5-methyl-2,3-dihydroindol-1-yl)acetamide
CID 83213541
1-[(3-ethyl-1-methylpyrazol-5-yl)methyl]-5-methyl-2,3-dihydroindol-6-amine
CID 83212458
1-(1-benzothiophen-3-ylmethyl)-5-methyl-2,3-dihydroindol-6-amine
CID 83211596
5-methyl-1-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]-2,3-dihydroindol-6-amine
CID 83212369
5-methyl-1-(2-thiophen-3-ylethyl)-2,3-dihydroindol-6-amine
CID 83213120

Frequently Asked Questions

What is the IUPAC name of 1-[(3,4-dichlorophenyl)methyl]-5-methyl-2,3-dihydroindol-6-amine?
The IUPAC name of 1-[(3,4-dichlorophenyl)methyl]-5-methyl-2,3-dihydroindol-6-amine (CID 83213196) is 1-[(3,4-dichlorophenyl)methyl]-5-methyl-2,3-dihydroindol-6-amine.
What is the SMILES notation for 1-[(3,4-dichlorophenyl)methyl]-5-methyl-2,3-dihydroindol-6-amine?
The canonical SMILES for 1-[(3,4-dichlorophenyl)methyl]-5-methyl-2,3-dihydroindol-6-amine is Cc1cc2c(cc1N)N(Cc1ccc(Cl)c(Cl)c1)CC2.
What is the InChIKey of 1-[(3,4-dichlorophenyl)methyl]-5-methyl-2,3-dihydroindol-6-amine?
The InChIKey is NRLWGVXYZYIXHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16Cl2N2/c1-10-6-12-4-5-20(16(12)8-15(10)19)9-11-2-3-13(17)14(18)7-11/h2-3,6-8H,4-5,9,19H2,1H3.
What are the key properties of 1-[(3,4-dichlorophenyl)methyl]-5-methyl-2,3-dihydroindol-6-amine?
1-[(3,4-dichlorophenyl)methyl]-5-methyl-2,3-dihydroindol-6-amine has a molecular weight of 307.22 g/mol, XLogP of 4.45, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,4-dichlorophenyl)methyl]-5-methyl-2,3-dihydroindol-6-amine is sourced from PubChem (CID 83213196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).