N-[[2-(4-chlorophenyl)-1H-indol-3-yl]methyl]-N',N'-dimethylpropane-1,3-diamine

C20H24ClN3 — CID 3040468

IUPACN-[[2-(4-chlorophenyl)-1H-indol-3-yl]methyl]-N',N'-dimethylpropane-1,3-diamine
SMILESCN(C)CCCNCc1c(-c2ccc(Cl)cc2)[nH]c2ccccc12
InChIInChI=1S/C20H24ClN3/c1-24(2)13-5-12-22-14-18-17-6-3-4-7-19(17)23-20(18)15-8-10-16(21)11-9-15/h3-4,6-11,22-23H,5,12-14H2,1-2H3
InChIKeyJQAKEUUVSBOIFE-UHFFFAOYSA-N
MW341.89 g/mol
LogP4.53
Rot. Bonds7

About N-[[2-(4-chlorophenyl)-1H-indol-3-yl]methyl]-N',N'-dimethylpropane-1,3-diamine

N-[[2-(4-chlorophenyl)-1H-indol-3-yl]methyl]-N',N'-dimethylpropane-1,3-diamine (PubChem CID 3040468) has the molecular formula C20H24ClN3 and a molecular weight of 341.89 g/mol. Its IUPAC name is N-[[2-(4-chlorophenyl)-1H-indol-3-yl]methyl]-N',N'-dimethylpropane-1,3-diamine.

Molecular Properties

Compound NameN-[[2-(4-chlorophenyl)-1H-indol-3-yl]methyl]-N',N'-dimethylpropane-1,3-diamine
PubChem CID3040468
Molecular FormulaC20H24ClN3
Molecular Weight341.89 g/mol
Exact Mass341.17
IUPAC NameN-[[2-(4-chlorophenyl)-1H-indol-3-yl]methyl]-N',N'-dimethylpropane-1,3-diamine
SMILESCN(C)CCCNCc1c(-c2ccc(Cl)cc2)[nH]c2ccccc12
InChIInChI=1S/C20H24ClN3/c1-24(2)13-5-12-22-14-18-17-6-3-4-7-19(17)23-20(18)15-8-10-16(21)11-9-15/h3-4,6-11,22-23H,5,12-14H2,1-2H3
InChIKeyJQAKEUUVSBOIFE-UHFFFAOYSA-N
XLogP4.53
TPSA31.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.89
LogP ≤ 54.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[[2-(4-chlorophenyl)-1H-indol-3-yl]methyl]-N',N'-dimethylpropane-1,3-diamine?
The IUPAC name of N-[[2-(4-chlorophenyl)-1H-indol-3-yl]methyl]-N',N'-dimethylpropane-1,3-diamine (CID 3040468) is N-[[2-(4-chlorophenyl)-1H-indol-3-yl]methyl]-N',N'-dimethylpropane-1,3-diamine.
What is the SMILES notation for N-[[2-(4-chlorophenyl)-1H-indol-3-yl]methyl]-N',N'-dimethylpropane-1,3-diamine?
The canonical SMILES for N-[[2-(4-chlorophenyl)-1H-indol-3-yl]methyl]-N',N'-dimethylpropane-1,3-diamine is CN(C)CCCNCc1c(-c2ccc(Cl)cc2)[nH]c2ccccc12.
What is the InChIKey of N-[[2-(4-chlorophenyl)-1H-indol-3-yl]methyl]-N',N'-dimethylpropane-1,3-diamine?
The InChIKey is JQAKEUUVSBOIFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24ClN3/c1-24(2)13-5-12-22-14-18-17-6-3-4-7-19(17)23-20(18)15-8-10-16(21)11-9-15/h3-4,6-11,22-23H,5,12-14H2,1-2H3.
What are the key properties of N-[[2-(4-chlorophenyl)-1H-indol-3-yl]methyl]-N',N'-dimethylpropane-1,3-diamine?
N-[[2-(4-chlorophenyl)-1H-indol-3-yl]methyl]-N',N'-dimethylpropane-1,3-diamine has a molecular weight of 341.89 g/mol, XLogP of 4.53, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(4-chlorophenyl)-1H-indol-3-yl]methyl]-N',N'-dimethylpropane-1,3-diamine is sourced from PubChem (CID 3040468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).