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

C19H20Cl2N2 — CID 3919387

IUPAC4-[4,6-dichloro-2-(4-methylphenyl)-1H-indol-3-yl]butan-1-amine
SMILESCc1ccc(-c2[nH]c3cc(Cl)cc(Cl)c3c2CCCCN)cc1
InChIInChI=1S/C19H20Cl2N2/c1-12-5-7-13(8-6-12)19-15(4-2-3-9-22)18-16(21)10-14(20)11-17(18)23-19/h5-8,10-11,23H,2-4,9,22H2,1H3
InChIKeyQFYGUCHJWHZRSS-UHFFFAOYSA-N
MW347.29 g/mol
LogP5.73
Rot. Bonds5

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

4-[4,6-dichloro-2-(4-methylphenyl)-1H-indol-3-yl]butan-1-amine (PubChem CID 3919387) has the molecular formula C19H20Cl2N2 and a molecular weight of 347.29 g/mol. Its IUPAC name is 4-[4,6-dichloro-2-(4-methylphenyl)-1H-indol-3-yl]butan-1-amine.

Molecular Properties

Compound Name4-[4,6-dichloro-2-(4-methylphenyl)-1H-indol-3-yl]butan-1-amine
PubChem CID3919387
Molecular FormulaC19H20Cl2N2
Molecular Weight347.29 g/mol
Exact Mass346.10
IUPAC Name4-[4,6-dichloro-2-(4-methylphenyl)-1H-indol-3-yl]butan-1-amine
SMILESCc1ccc(-c2[nH]c3cc(Cl)cc(Cl)c3c2CCCCN)cc1
InChIInChI=1S/C19H20Cl2N2/c1-12-5-7-13(8-6-12)19-15(4-2-3-9-22)18-16(21)10-14(20)11-17(18)23-19/h5-8,10-11,23H,2-4,9,22H2,1H3
InChIKeyQFYGUCHJWHZRSS-UHFFFAOYSA-N
XLogP5.73
TPSA41.81 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500347.29
LogP ≤ 55.73
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-(2,4-dimethylphenyl)-1H-indol-3-yl]butan-1-amine
CID 5183042
4-[4,6-dichloro-2-(5-methylthiophen-2-yl)-1H-indol-3-yl]butan-1-amine
CID 4537294
2-[4,6-dichloro-2-(4-methylphenyl)-1H-indol-3-yl]acetic acid
CID 5138090
4-[4,6-dichloro-2-(2,5-dimethoxyphenyl)-1H-indol-3-yl]butan-1-amine
CID 4641134
4-[5-chloro-7-methyl-2-(4-methylphenyl)-1H-indol-3-yl]butan-1-amine
CID 5099960
4-[2-(2,6-dichlorophenyl)-4,6-dimethyl-1H-indol-3-yl]butan-1-amine
CID 3449867
4-[5-methyl-2-(4-methylphenyl)-1H-indol-3-yl]butan-1-amine
CID 4033296
4-(5,7-dichloro-2-phenyl-1H-indol-3-yl)butan-1-amine
CID 3460456
4-[2-(3,4-dichlorophenyl)-5-methyl-1H-indol-3-yl]butan-1-amine
CID 3602353
4-[5-chloro-2-(4-phenylphenyl)-1H-indol-3-yl]butan-1-amine
CID 5035921
4-[4,6-dichloro-2-(8-methoxy-2-methylquinolin-5-yl)-1H-indol-3-yl]butan-1-amine
CID 3449865
4-[5-chloro-2-(4-methylphenyl)-7-(trifluoromethyl)-1H-indol-3-yl]butan-1-amine
CID 3615736

Frequently Asked Questions

What is the IUPAC name of 4-[4,6-dichloro-2-(4-methylphenyl)-1H-indol-3-yl]butan-1-amine?
The IUPAC name of 4-[4,6-dichloro-2-(4-methylphenyl)-1H-indol-3-yl]butan-1-amine (CID 3919387) is 4-[4,6-dichloro-2-(4-methylphenyl)-1H-indol-3-yl]butan-1-amine.
What is the SMILES notation for 4-[4,6-dichloro-2-(4-methylphenyl)-1H-indol-3-yl]butan-1-amine?
The canonical SMILES for 4-[4,6-dichloro-2-(4-methylphenyl)-1H-indol-3-yl]butan-1-amine is Cc1ccc(-c2[nH]c3cc(Cl)cc(Cl)c3c2CCCCN)cc1.
What is the InChIKey of 4-[4,6-dichloro-2-(4-methylphenyl)-1H-indol-3-yl]butan-1-amine?
The InChIKey is QFYGUCHJWHZRSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20Cl2N2/c1-12-5-7-13(8-6-12)19-15(4-2-3-9-22)18-16(21)10-14(20)11-17(18)23-19/h5-8,10-11,23H,2-4,9,22H2,1H3.
What are the key properties of 4-[4,6-dichloro-2-(4-methylphenyl)-1H-indol-3-yl]butan-1-amine?
4-[4,6-dichloro-2-(4-methylphenyl)-1H-indol-3-yl]butan-1-amine has a molecular weight of 347.29 g/mol, XLogP of 5.73, 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-(4-methylphenyl)-1H-indol-3-yl]butan-1-amine is sourced from PubChem (CID 3919387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).