4-[7-butan-2-yl-2-(2,6-dichlorophenyl)-1H-indol-3-yl]butan-1-amine

C22H26Cl2N2 — CID 3880736

IUPAC4-[7-butan-2-yl-2-(2,6-dichlorophenyl)-1H-indol-3-yl]butan-1-amine
SMILESCCC(C)c1cccc2c(CCCCN)c(-c3c(Cl)cccc3Cl)[nH]c12
InChIInChI=1S/C22H26Cl2N2/c1-3-14(2)15-9-6-10-16-17(8-4-5-13-25)22(26-21(15)16)20-18(23)11-7-12-19(20)24/h6-7,9-12,14,26H,3-5,8,13,25H2,1-2H3
InChIKeySKKYSHWGRREXMX-UHFFFAOYSA-N
MW389.37 g/mol
LogP6.94
Rot. Bonds7

About 4-[7-butan-2-yl-2-(2,6-dichlorophenyl)-1H-indol-3-yl]butan-1-amine

4-[7-butan-2-yl-2-(2,6-dichlorophenyl)-1H-indol-3-yl]butan-1-amine (PubChem CID 3880736) has the molecular formula C22H26Cl2N2 and a molecular weight of 389.37 g/mol. Its IUPAC name is 4-[7-butan-2-yl-2-(2,6-dichlorophenyl)-1H-indol-3-yl]butan-1-amine.

Molecular Properties

Compound Name4-[7-butan-2-yl-2-(2,6-dichlorophenyl)-1H-indol-3-yl]butan-1-amine
PubChem CID3880736
Molecular FormulaC22H26Cl2N2
Molecular Weight389.37 g/mol
Exact Mass388.15
IUPAC Name4-[7-butan-2-yl-2-(2,6-dichlorophenyl)-1H-indol-3-yl]butan-1-amine
SMILESCCC(C)c1cccc2c(CCCCN)c(-c3c(Cl)cccc3Cl)[nH]c12
InChIInChI=1S/C22H26Cl2N2/c1-3-14(2)15-9-6-10-16-17(8-4-5-13-25)22(26-21(15)16)20-18(23)11-7-12-19(20)24/h6-7,9-12,14,26H,3-5,8,13,25H2,1-2H3
InChIKeySKKYSHWGRREXMX-UHFFFAOYSA-N
XLogP6.94
TPSA41.81 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.37
LogP ≤ 56.94
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-[7-butan-2-yl-2-(3-chloro-4-pyridinyl)-1H-indol-3-yl]butan-1-amine
CID 3928393
4-[2-(5-bromothiophen-2-yl)-7-butan-2-yl-1H-indol-3-yl]butan-1-amine
CID 4997507
4-[7-butan-2-yl-2-(2-methoxy-3-methylphenyl)-1H-indol-3-yl]butan-1-amine
CID 3933978
4-[7-butan-2-yl-2-[3-(trifluoromethyl)phenyl]-1H-indol-3-yl]butan-1-amine
CID 4989080
4-[2-(4-tert-butylphenyl)-7-chloro-1H-indol-3-yl]butan-1-amine
CID 4574426
4-[2-(2,6-dichlorophenyl)-4,6-dimethyl-1H-indol-3-yl]butan-1-amine
CID 3449867
4-[2-(2,3-dichlorophenyl)-7-fluoro-1H-indol-3-yl]butan-1-amine
CID 5140210
4-[2-(2,4-dichlorophenyl)-7-ethyl-1H-indol-3-yl]butan-1-amine
CID 4012865
3-(4-aminobutyl)-2-(2,6-dichlorophenyl)-1H-indole-5-carboxylic acid
CID 3450980
4-[2-(1-benzothiophen-2-yl)-7-propan-2-yl-1H-indol-3-yl]butan-1-amine
CID 4034894
4-[7-chloro-2-(2,4-difluorophenyl)-1H-indol-3-yl]butan-1-amine
CID 3622916
4-(2-dibenzothiophen-2-yl-7-propan-2-yl-1H-indol-3-yl)butan-1-amine
CID 3396019

Frequently Asked Questions

What is the IUPAC name of 4-[7-butan-2-yl-2-(2,6-dichlorophenyl)-1H-indol-3-yl]butan-1-amine?
The IUPAC name of 4-[7-butan-2-yl-2-(2,6-dichlorophenyl)-1H-indol-3-yl]butan-1-amine (CID 3880736) is 4-[7-butan-2-yl-2-(2,6-dichlorophenyl)-1H-indol-3-yl]butan-1-amine.
What is the SMILES notation for 4-[7-butan-2-yl-2-(2,6-dichlorophenyl)-1H-indol-3-yl]butan-1-amine?
The canonical SMILES for 4-[7-butan-2-yl-2-(2,6-dichlorophenyl)-1H-indol-3-yl]butan-1-amine is CCC(C)c1cccc2c(CCCCN)c(-c3c(Cl)cccc3Cl)[nH]c12.
What is the InChIKey of 4-[7-butan-2-yl-2-(2,6-dichlorophenyl)-1H-indol-3-yl]butan-1-amine?
The InChIKey is SKKYSHWGRREXMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26Cl2N2/c1-3-14(2)15-9-6-10-16-17(8-4-5-13-25)22(26-21(15)16)20-18(23)11-7-12-19(20)24/h6-7,9-12,14,26H,3-5,8,13,25H2,1-2H3.
What are the key properties of 4-[7-butan-2-yl-2-(2,6-dichlorophenyl)-1H-indol-3-yl]butan-1-amine?
4-[7-butan-2-yl-2-(2,6-dichlorophenyl)-1H-indol-3-yl]butan-1-amine has a molecular weight of 389.37 g/mol, XLogP of 6.94, 7 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[7-butan-2-yl-2-(2,6-dichlorophenyl)-1H-indol-3-yl]butan-1-amine is sourced from PubChem (CID 3880736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).