4-[5,7-dichloro-2-(2-methoxy-3-methylphenyl)-1H-indol-3-yl]butan-1-amine

C20H22Cl2N2O — CID 4222400

IUPAC4-[5,7-dichloro-2-(2-methoxy-3-methylphenyl)-1H-indol-3-yl]butan-1-amine
SMILESCOc1c(C)cccc1-c1[nH]c2c(Cl)cc(Cl)cc2c1CCCCN
InChIInChI=1S/C20H22Cl2N2O/c1-12-6-5-8-15(20(12)25-2)18-14(7-3-4-9-23)16-10-13(21)11-17(22)19(16)24-18/h5-6,8,10-11,24H,3-4,7,9,23H2,1-2H3
InChIKeyBWTPWOHLMGTIQM-UHFFFAOYSA-N
MW377.32 g/mol
LogP5.74
Rot. Bonds6

About 4-[5,7-dichloro-2-(2-methoxy-3-methylphenyl)-1H-indol-3-yl]butan-1-amine

4-[5,7-dichloro-2-(2-methoxy-3-methylphenyl)-1H-indol-3-yl]butan-1-amine (PubChem CID 4222400) has the molecular formula C20H22Cl2N2O and a molecular weight of 377.32 g/mol. Its IUPAC name is 4-[5,7-dichloro-2-(2-methoxy-3-methylphenyl)-1H-indol-3-yl]butan-1-amine.

Molecular Properties

Compound Name4-[5,7-dichloro-2-(2-methoxy-3-methylphenyl)-1H-indol-3-yl]butan-1-amine
PubChem CID4222400
Molecular FormulaC20H22Cl2N2O
Molecular Weight377.32 g/mol
Exact Mass376.11
IUPAC Name4-[5,7-dichloro-2-(2-methoxy-3-methylphenyl)-1H-indol-3-yl]butan-1-amine
SMILESCOc1c(C)cccc1-c1[nH]c2c(Cl)cc(Cl)cc2c1CCCCN
InChIInChI=1S/C20H22Cl2N2O/c1-12-6-5-8-15(20(12)25-2)18-14(7-3-4-9-23)16-10-13(21)11-17(22)19(16)24-18/h5-6,8,10-11,24H,3-4,7,9,23H2,1-2H3
InChIKeyBWTPWOHLMGTIQM-UHFFFAOYSA-N
XLogP5.74
TPSA51.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.32
LogP ≤ 55.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-[5,7-dichloro-2-(2-methoxy-3-methylphenyl)-1H-indol-3-yl]butan-1-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

4-[2-(2-methoxy-3-methylphenyl)-5,7-dimethyl-1H-indol-3-yl]butan-1-amine
CID 3991450
4-[5-bromo-7-chloro-2-(2-methylphenyl)-1H-indol-3-yl]butan-1-amine
CID 5135611
4-(5,7-dichloro-2-phenyl-1H-indol-3-yl)butan-1-amine
CID 3460456
4-[2-(2,3-dimethoxyphenyl)-7-methyl-1H-indol-3-yl]butan-1-amine
CID 4214505
4-[5-ethyl-2-(2-methoxy-3-methylphenyl)-1H-indol-3-yl]butan-1-amine
CID 3931993
4-[7-butan-2-yl-2-(2-methoxy-3-methylphenyl)-1H-indol-3-yl]butan-1-amine
CID 3933978
4-[5-chloro-2-(2-methylphenyl)-1H-indol-3-yl]butan-1-amine
CID 3665448
4-[2-(2-methoxy-3-methylphenyl)-5-phenyl-1H-indol-3-yl]butan-1-amine
CID 4545221
4-[7-chloro-2-(3-methoxynaphthalen-2-yl)-1H-indol-3-yl]butan-1-amine
CID 5037572
4-[2-(5-bromo-2-methoxyphenyl)-5-chloro-7-methyl-1H-indol-3-yl]butan-1-amine
CID 3561539
4-[5-chloro-7-methyl-2-[2-(trifluoromethyl)phenyl]-1H-indol-3-yl]butan-1-amine
CID 3892985
4-[5,7-dichloro-2-(4-methylthiophen-2-yl)-1H-indol-3-yl]butan-1-amine
CID 5217374

Frequently Asked Questions

What is the IUPAC name of 4-[5,7-dichloro-2-(2-methoxy-3-methylphenyl)-1H-indol-3-yl]butan-1-amine?
The IUPAC name of 4-[5,7-dichloro-2-(2-methoxy-3-methylphenyl)-1H-indol-3-yl]butan-1-amine (CID 4222400) is 4-[5,7-dichloro-2-(2-methoxy-3-methylphenyl)-1H-indol-3-yl]butan-1-amine.
What is the SMILES notation for 4-[5,7-dichloro-2-(2-methoxy-3-methylphenyl)-1H-indol-3-yl]butan-1-amine?
The canonical SMILES for 4-[5,7-dichloro-2-(2-methoxy-3-methylphenyl)-1H-indol-3-yl]butan-1-amine is COc1c(C)cccc1-c1[nH]c2c(Cl)cc(Cl)cc2c1CCCCN.
What is the InChIKey of 4-[5,7-dichloro-2-(2-methoxy-3-methylphenyl)-1H-indol-3-yl]butan-1-amine?
The InChIKey is BWTPWOHLMGTIQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22Cl2N2O/c1-12-6-5-8-15(20(12)25-2)18-14(7-3-4-9-23)16-10-13(21)11-17(22)19(16)24-18/h5-6,8,10-11,24H,3-4,7,9,23H2,1-2H3.
What are the key properties of 4-[5,7-dichloro-2-(2-methoxy-3-methylphenyl)-1H-indol-3-yl]butan-1-amine?
4-[5,7-dichloro-2-(2-methoxy-3-methylphenyl)-1H-indol-3-yl]butan-1-amine has a molecular weight of 377.32 g/mol, XLogP of 5.74, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5,7-dichloro-2-(2-methoxy-3-methylphenyl)-1H-indol-3-yl]butan-1-amine is sourced from PubChem (CID 4222400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).