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

C21H26ClN3 — CID 124805206

IUPACN-[[1-[(3-chlorophenyl)methyl]indol-3-yl]methyl]-N',N'-dimethylpropane-1,3-diamine
SMILESCN(C)CCCNCc1cn(Cc2cccc(Cl)c2)c2ccccc12
InChIInChI=1S/C21H26ClN3/c1-24(2)12-6-11-23-14-18-16-25(21-10-4-3-9-20(18)21)15-17-7-5-8-19(22)13-17/h3-5,7-10,13,16,23H,6,11-12,14-15H2,1-2H3
InChIKeyKIZRDNFSVFPVPL-UHFFFAOYSA-N
MW355.91 g/mol
LogP4.38
Rot. Bonds8

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

N-[[1-[(3-chlorophenyl)methyl]indol-3-yl]methyl]-N',N'-dimethylpropane-1,3-diamine (PubChem CID 124805206) has the molecular formula C21H26ClN3 and a molecular weight of 355.91 g/mol. Its IUPAC name is N-[[1-[(3-chlorophenyl)methyl]indol-3-yl]methyl]-N',N'-dimethylpropane-1,3-diamine.

Molecular Properties

Compound NameN-[[1-[(3-chlorophenyl)methyl]indol-3-yl]methyl]-N',N'-dimethylpropane-1,3-diamine
PubChem CID124805206
Molecular FormulaC21H26ClN3
Molecular Weight355.91 g/mol
Exact Mass355.18
IUPAC NameN-[[1-[(3-chlorophenyl)methyl]indol-3-yl]methyl]-N',N'-dimethylpropane-1,3-diamine
SMILESCN(C)CCCNCc1cn(Cc2cccc(Cl)c2)c2ccccc12
InChIInChI=1S/C21H26ClN3/c1-24(2)12-6-11-23-14-18-16-25(21-10-4-3-9-20(18)21)15-17-7-5-8-19(22)13-17/h3-5,7-10,13,16,23H,6,11-12,14-15H2,1-2H3
InChIKeyKIZRDNFSVFPVPL-UHFFFAOYSA-N
XLogP4.38
TPSA20.20 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.91
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N',N'-dibutyl-N-[[1-[(3-chlorophenyl)methyl]indol-3-yl]methyl]propane-1,3-diamine
CID 124823651
2-[2-[[1-[(3-chlorophenyl)methyl]indol-3-yl]methylamino]ethoxy]ethanol
CID 124786059
N-[[1-[(4-chlorophenyl)methyl]indol-3-yl]methyl]-N',N'-diethylpropane-1,3-diamine
CID 124825576
N-[[1-[(2-chloro-6-fluorophenyl)methyl]indol-3-yl]methyl]-N',N'-dimethylpropane-1,3-diamine
CID 124805104
3-[(1-benzylindol-3-yl)methylamino]propan-1-ol
CID 119027419
N-[[1-[(3,4-dichlorophenyl)methyl]indol-3-yl]methyl]hexan-1-amine
CID 124826287
N-[[1-[(2,6-dichlorophenyl)methyl]indol-3-yl]methyl]-N',N'-dimethylethane-1,2-diamine
CID 124801601
2-[3-[(1-benzylindol-3-yl)methylamino]propylamino]ethanol
CID 124786070
N',N'-diethyl-N-[[1-[(3-methylphenyl)methyl]indol-3-yl]methyl]ethane-1,2-diamine
CID 124794918
N-[[1-[(2,4-dichlorophenyl)methyl]indol-3-yl]methyl]heptan-1-amine;hydrochloride
CID 17157722
3-[[1-[(4-methylphenyl)methyl]indol-3-yl]methylamino]propan-1-ol
CID 124815391
N-[[1-[3-(dimethylamino)propyl]indol-3-yl]methyl]dodecan-1-amine
CID 71546960

Frequently Asked Questions

What is the IUPAC name of N-[[1-[(3-chlorophenyl)methyl]indol-3-yl]methyl]-N',N'-dimethylpropane-1,3-diamine?
The IUPAC name of N-[[1-[(3-chlorophenyl)methyl]indol-3-yl]methyl]-N',N'-dimethylpropane-1,3-diamine (CID 124805206) is N-[[1-[(3-chlorophenyl)methyl]indol-3-yl]methyl]-N',N'-dimethylpropane-1,3-diamine.
What is the SMILES notation for N-[[1-[(3-chlorophenyl)methyl]indol-3-yl]methyl]-N',N'-dimethylpropane-1,3-diamine?
The canonical SMILES for N-[[1-[(3-chlorophenyl)methyl]indol-3-yl]methyl]-N',N'-dimethylpropane-1,3-diamine is CN(C)CCCNCc1cn(Cc2cccc(Cl)c2)c2ccccc12.
What is the InChIKey of N-[[1-[(3-chlorophenyl)methyl]indol-3-yl]methyl]-N',N'-dimethylpropane-1,3-diamine?
The InChIKey is KIZRDNFSVFPVPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26ClN3/c1-24(2)12-6-11-23-14-18-16-25(21-10-4-3-9-20(18)21)15-17-7-5-8-19(22)13-17/h3-5,7-10,13,16,23H,6,11-12,14-15H2,1-2H3.
What are the key properties of N-[[1-[(3-chlorophenyl)methyl]indol-3-yl]methyl]-N',N'-dimethylpropane-1,3-diamine?
N-[[1-[(3-chlorophenyl)methyl]indol-3-yl]methyl]-N',N'-dimethylpropane-1,3-diamine has a molecular weight of 355.91 g/mol, XLogP of 4.38, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(3-chlorophenyl)methyl]indol-3-yl]methyl]-N',N'-dimethylpropane-1,3-diamine is sourced from PubChem (CID 124805206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).