4-[4-chloro-2-(2-methylphenyl)-7-(trifluoromethyl)-1H-indol-3-yl]butan-1-amine

C20H20ClF3N2 — CID 3988137

IUPAC4-[4-chloro-2-(2-methylphenyl)-7-(trifluoromethyl)-1H-indol-3-yl]butan-1-amine
SMILESCc1ccccc1-c1[nH]c2c(C(F)(F)F)ccc(Cl)c2c1CCCCN
InChIInChI=1S/C20H20ClF3N2/c1-12-6-2-3-7-13(12)18-14(8-4-5-11-25)17-16(21)10-9-15(19(17)26-18)20(22,23)24/h2-3,6-7,9-10,26H,4-5,8,11,25H2,1H3
InChIKeyGSTMXZNKFZTVMB-UHFFFAOYSA-N
MW380.84 g/mol
LogP6.10
Rot. Bonds5

About 4-[4-chloro-2-(2-methylphenyl)-7-(trifluoromethyl)-1H-indol-3-yl]butan-1-amine

4-[4-chloro-2-(2-methylphenyl)-7-(trifluoromethyl)-1H-indol-3-yl]butan-1-amine (PubChem CID 3988137) has the molecular formula C20H20ClF3N2 and a molecular weight of 380.84 g/mol. Its IUPAC name is 4-[4-chloro-2-(2-methylphenyl)-7-(trifluoromethyl)-1H-indol-3-yl]butan-1-amine.

Molecular Properties

Compound Name4-[4-chloro-2-(2-methylphenyl)-7-(trifluoromethyl)-1H-indol-3-yl]butan-1-amine
PubChem CID3988137
Molecular FormulaC20H20ClF3N2
Molecular Weight380.84 g/mol
Exact Mass380.13
IUPAC Name4-[4-chloro-2-(2-methylphenyl)-7-(trifluoromethyl)-1H-indol-3-yl]butan-1-amine
SMILESCc1ccccc1-c1[nH]c2c(C(F)(F)F)ccc(Cl)c2c1CCCCN
InChIInChI=1S/C20H20ClF3N2/c1-12-6-2-3-7-13(12)18-14(8-4-5-11-25)17-16(21)10-9-15(19(17)26-18)20(22,23)24/h2-3,6-7,9-10,26H,4-5,8,11,25H2,1H3
InChIKeyGSTMXZNKFZTVMB-UHFFFAOYSA-N
XLogP6.10
TPSA41.81 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.84
LogP ≤ 56.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 4-[4-chloro-2-(2-methylphenyl)-7-(trifluoromethyl)-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-[4-chloro-2-(4-chlorophenyl)-7-(trifluoromethyl)-1H-indol-3-yl]butan-1-amine
CID 3630655
4-[4-chloro-2-(2-fluorophenyl)-7-methyl-1H-indol-3-yl]butan-1-amine
CID 4989795
4-[4-chloro-2-pyridin-3-yl-7-(trifluoromethyl)-1H-indol-3-yl]butan-1-amine
CID 4235880
4-[4-chloro-2-(3-iodophenyl)-7-(trifluoromethyl)-1H-indol-3-yl]butan-1-amine
CID 3992197
4-[2-(1,3-benzothiazol-2-yl)-4-chloro-7-(trifluoromethyl)-1H-indol-3-yl]butan-1-amine
CID 3494496
4-[5-chloro-7-methyl-2-[2-(trifluoromethyl)phenyl]-1H-indol-3-yl]butan-1-amine
CID 3892985
4-[5-bromo-7-chloro-2-(2-methylphenyl)-1H-indol-3-yl]butan-1-amine
CID 5135611
4-[4-chloro-2-(1-methoxynaphthalen-2-yl)-7-methyl-1H-indol-3-yl]butan-1-amine
CID 3449714
4-[2-(1-benzothiophen-3-yl)-4-chloro-7-methyl-1H-indol-3-yl]butan-1-amine
CID 3353814
4-[2-(2,3-dichlorophenyl)-4,7-dimethyl-1H-indol-3-yl]butan-1-amine
CID 5158000
4-[5-chloro-2-(2-methylphenyl)-1H-indol-3-yl]butan-1-amine
CID 3665448
4-[2-(2,3-dichlorophenyl)-4,6-bis(trifluoromethyl)-1H-indol-3-yl]butan-1-amine
CID 4647984

Frequently Asked Questions

What is the IUPAC name of 4-[4-chloro-2-(2-methylphenyl)-7-(trifluoromethyl)-1H-indol-3-yl]butan-1-amine?
The IUPAC name of 4-[4-chloro-2-(2-methylphenyl)-7-(trifluoromethyl)-1H-indol-3-yl]butan-1-amine (CID 3988137) is 4-[4-chloro-2-(2-methylphenyl)-7-(trifluoromethyl)-1H-indol-3-yl]butan-1-amine.
What is the SMILES notation for 4-[4-chloro-2-(2-methylphenyl)-7-(trifluoromethyl)-1H-indol-3-yl]butan-1-amine?
The canonical SMILES for 4-[4-chloro-2-(2-methylphenyl)-7-(trifluoromethyl)-1H-indol-3-yl]butan-1-amine is Cc1ccccc1-c1[nH]c2c(C(F)(F)F)ccc(Cl)c2c1CCCCN.
What is the InChIKey of 4-[4-chloro-2-(2-methylphenyl)-7-(trifluoromethyl)-1H-indol-3-yl]butan-1-amine?
The InChIKey is GSTMXZNKFZTVMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClF3N2/c1-12-6-2-3-7-13(12)18-14(8-4-5-11-25)17-16(21)10-9-15(19(17)26-18)20(22,23)24/h2-3,6-7,9-10,26H,4-5,8,11,25H2,1H3.
What are the key properties of 4-[4-chloro-2-(2-methylphenyl)-7-(trifluoromethyl)-1H-indol-3-yl]butan-1-amine?
4-[4-chloro-2-(2-methylphenyl)-7-(trifluoromethyl)-1H-indol-3-yl]butan-1-amine has a molecular weight of 380.84 g/mol, XLogP of 6.10, 5 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-chloro-2-(2-methylphenyl)-7-(trifluoromethyl)-1H-indol-3-yl]butan-1-amine is sourced from PubChem (CID 3988137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).