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

C20H22Cl2N2 — CID 5183042

IUPAC4-[4,6-dichloro-2-(2,4-dimethylphenyl)-1H-indol-3-yl]butan-1-amine
SMILESCc1ccc(-c2[nH]c3cc(Cl)cc(Cl)c3c2CCCCN)c(C)c1
InChIInChI=1S/C20H22Cl2N2/c1-12-6-7-15(13(2)9-12)20-16(5-3-4-8-23)19-17(22)10-14(21)11-18(19)24-20/h6-7,9-11,24H,3-5,8,23H2,1-2H3
InChIKeyFUDLEPFURQQBSZ-UHFFFAOYSA-N
MW361.32 g/mol
LogP6.04
Rot. Bonds5

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

4-[4,6-dichloro-2-(2,4-dimethylphenyl)-1H-indol-3-yl]butan-1-amine (PubChem CID 5183042) has the molecular formula C20H22Cl2N2 and a molecular weight of 361.32 g/mol. Its IUPAC name is 4-[4,6-dichloro-2-(2,4-dimethylphenyl)-1H-indol-3-yl]butan-1-amine.

Molecular Properties

Compound Name4-[4,6-dichloro-2-(2,4-dimethylphenyl)-1H-indol-3-yl]butan-1-amine
PubChem CID5183042
Molecular FormulaC20H22Cl2N2
Molecular Weight361.32 g/mol
Exact Mass360.12
IUPAC Name4-[4,6-dichloro-2-(2,4-dimethylphenyl)-1H-indol-3-yl]butan-1-amine
SMILESCc1ccc(-c2[nH]c3cc(Cl)cc(Cl)c3c2CCCCN)c(C)c1
InChIInChI=1S/C20H22Cl2N2/c1-12-6-7-15(13(2)9-12)20-16(5-3-4-8-23)19-17(22)10-14(21)11-18(19)24-20/h6-7,9-11,24H,3-5,8,23H2,1-2H3
InChIKeyFUDLEPFURQQBSZ-UHFFFAOYSA-N
XLogP6.04
TPSA41.81 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.32
LogP ≤ 56.04
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-[4,6-dichloro-2-(4-methylphenyl)-1H-indol-3-yl]butan-1-amine
CID 3919387
2-[4,6-dichloro-2-(2,4-dimethylphenyl)-1H-indol-3-yl]acetic acid
CID 4588071
4-[4,6-dichloro-2-(5-methylthiophen-2-yl)-1H-indol-3-yl]butan-1-amine
CID 4537294
4-[4,6-dichloro-2-(2,5-dimethoxyphenyl)-1H-indol-3-yl]butan-1-amine
CID 4641134
4-[2-(2,6-dichlorophenyl)-4,6-dimethyl-1H-indol-3-yl]butan-1-amine
CID 3449867
4-[4,6-dichloro-2-(8-methoxy-2-methylquinolin-5-yl)-1H-indol-3-yl]butan-1-amine
CID 3449865
4-[5-chloro-2-(2-methylphenyl)-1H-indol-3-yl]butan-1-amine
CID 3665448
4-[2-(1-methoxynaphthalen-2-yl)-4,6-dimethyl-1H-indol-3-yl]butan-1-amine
CID 3884218
4-[2-(2-chloro-4-fluorophenyl)-5-methyl-1H-indol-3-yl]butan-1-amine
CID 5013299
2-[4,6-dichloro-2-(4-methylphenyl)-1H-indol-3-yl]acetic acid
CID 5138090
4-[2-(2,4-dichlorophenyl)-7-ethyl-1H-indol-3-yl]butan-1-amine
CID 4012865
4-[2-(2,4-dichlorophenyl)-6,7-dimethyl-1H-indol-3-yl]butan-1-amine
CID 5196949

Frequently Asked Questions

What is the IUPAC name of 4-[4,6-dichloro-2-(2,4-dimethylphenyl)-1H-indol-3-yl]butan-1-amine?
The IUPAC name of 4-[4,6-dichloro-2-(2,4-dimethylphenyl)-1H-indol-3-yl]butan-1-amine (CID 5183042) is 4-[4,6-dichloro-2-(2,4-dimethylphenyl)-1H-indol-3-yl]butan-1-amine.
What is the SMILES notation for 4-[4,6-dichloro-2-(2,4-dimethylphenyl)-1H-indol-3-yl]butan-1-amine?
The canonical SMILES for 4-[4,6-dichloro-2-(2,4-dimethylphenyl)-1H-indol-3-yl]butan-1-amine is Cc1ccc(-c2[nH]c3cc(Cl)cc(Cl)c3c2CCCCN)c(C)c1.
What is the InChIKey of 4-[4,6-dichloro-2-(2,4-dimethylphenyl)-1H-indol-3-yl]butan-1-amine?
The InChIKey is FUDLEPFURQQBSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22Cl2N2/c1-12-6-7-15(13(2)9-12)20-16(5-3-4-8-23)19-17(22)10-14(21)11-18(19)24-20/h6-7,9-11,24H,3-5,8,23H2,1-2H3.
What are the key properties of 4-[4,6-dichloro-2-(2,4-dimethylphenyl)-1H-indol-3-yl]butan-1-amine?
4-[4,6-dichloro-2-(2,4-dimethylphenyl)-1H-indol-3-yl]butan-1-amine has a molecular weight of 361.32 g/mol, XLogP of 6.04, 5 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4,6-dichloro-2-(2,4-dimethylphenyl)-1H-indol-3-yl]butan-1-amine is sourced from PubChem (CID 5183042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).