4-[5-butyl-2-(3,4-dichlorophenyl)-1H-indol-3-yl]butan-1-amine

C22H26Cl2N2 — CID 3644424

IUPAC4-[5-butyl-2-(3,4-dichlorophenyl)-1H-indol-3-yl]butan-1-amine
SMILESCCCCc1ccc2[nH]c(-c3ccc(Cl)c(Cl)c3)c(CCCCN)c2c1
InChIInChI=1S/C22H26Cl2N2/c1-2-3-6-15-8-11-21-18(13-15)17(7-4-5-12-25)22(26-21)16-9-10-19(23)20(24)14-16/h8-11,13-14,26H,2-7,12,25H2,1H3
InChIKeyDZPTVINDIHSGKU-UHFFFAOYSA-N
MW389.37 g/mol
LogP6.77
Rot. Bonds8

About 4-[5-butyl-2-(3,4-dichlorophenyl)-1H-indol-3-yl]butan-1-amine

4-[5-butyl-2-(3,4-dichlorophenyl)-1H-indol-3-yl]butan-1-amine (PubChem CID 3644424) has the molecular formula C22H26Cl2N2 and a molecular weight of 389.37 g/mol. Its IUPAC name is 4-[5-butyl-2-(3,4-dichlorophenyl)-1H-indol-3-yl]butan-1-amine.

Molecular Properties

Compound Name4-[5-butyl-2-(3,4-dichlorophenyl)-1H-indol-3-yl]butan-1-amine
PubChem CID3644424
Molecular FormulaC22H26Cl2N2
Molecular Weight389.37 g/mol
Exact Mass388.15
IUPAC Name4-[5-butyl-2-(3,4-dichlorophenyl)-1H-indol-3-yl]butan-1-amine
SMILESCCCCc1ccc2[nH]c(-c3ccc(Cl)c(Cl)c3)c(CCCCN)c2c1
InChIInChI=1S/C22H26Cl2N2/c1-2-3-6-15-8-11-21-18(13-15)17(7-4-5-12-25)22(26-21)16-9-10-19(23)20(24)14-16/h8-11,13-14,26H,2-7,12,25H2,1H3
InChIKeyDZPTVINDIHSGKU-UHFFFAOYSA-N
XLogP6.77
TPSA41.81 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.37
LogP ≤ 56.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-[5-butyl-2-(3-chlorophenyl)-1H-indol-3-yl]butan-1-amine
CID 3340482
4-[2-(3,4-dichlorophenyl)-5-methyl-1H-indol-3-yl]butan-1-amine
CID 3602353
4-[5-bromo-2-(3,4-dichlorophenyl)-1H-indol-3-yl]butan-1-amine
CID 4039818
4-[5-butyl-2-(3,4,5-trimethoxyphenyl)-1H-indol-3-yl]butan-1-amine
CID 3914756
4-[5-chloro-2-(4-ethylphenyl)-1H-indol-3-yl]butan-1-amine
CID 3990175
4-[5-butyl-2-(1,3-thiazol-2-yl)-1H-indol-3-yl]butan-1-amine
CID 5145781
4-[5-butyl-2-(4-methylnaphthalen-1-yl)-1H-indol-3-yl]butan-1-amine
CID 5010457
4-[3-(4-aminobutyl)-5-ethyl-1H-indol-2-yl]-N,N-dimethylaniline
CID 3525871
4-[5-methyl-2-(4-methylphenyl)-1H-indol-3-yl]butan-1-amine
CID 4033296
4-[2-(1-benzothiophen-2-yl)-5-butyl-1H-indol-3-yl]butan-1-amine
CID 4687429
4-[5-butyl-2-(2-phenoxyphenyl)-1H-indol-3-yl]butan-1-amine
CID 4287301
4-[5-butan-2-yl-2-[4-chloro-3-(trifluoromethyl)phenyl]-1H-indol-3-yl]butan-1-amine
CID 3252240

Frequently Asked Questions

What is the IUPAC name of 4-[5-butyl-2-(3,4-dichlorophenyl)-1H-indol-3-yl]butan-1-amine?
The IUPAC name of 4-[5-butyl-2-(3,4-dichlorophenyl)-1H-indol-3-yl]butan-1-amine (CID 3644424) is 4-[5-butyl-2-(3,4-dichlorophenyl)-1H-indol-3-yl]butan-1-amine.
What is the SMILES notation for 4-[5-butyl-2-(3,4-dichlorophenyl)-1H-indol-3-yl]butan-1-amine?
The canonical SMILES for 4-[5-butyl-2-(3,4-dichlorophenyl)-1H-indol-3-yl]butan-1-amine is CCCCc1ccc2[nH]c(-c3ccc(Cl)c(Cl)c3)c(CCCCN)c2c1.
What is the InChIKey of 4-[5-butyl-2-(3,4-dichlorophenyl)-1H-indol-3-yl]butan-1-amine?
The InChIKey is DZPTVINDIHSGKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26Cl2N2/c1-2-3-6-15-8-11-21-18(13-15)17(7-4-5-12-25)22(26-21)16-9-10-19(23)20(24)14-16/h8-11,13-14,26H,2-7,12,25H2,1H3.
What are the key properties of 4-[5-butyl-2-(3,4-dichlorophenyl)-1H-indol-3-yl]butan-1-amine?
4-[5-butyl-2-(3,4-dichlorophenyl)-1H-indol-3-yl]butan-1-amine has a molecular weight of 389.37 g/mol, XLogP of 6.77, 8 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-butyl-2-(3,4-dichlorophenyl)-1H-indol-3-yl]butan-1-amine is sourced from PubChem (CID 3644424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).