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

C21H26ClN3 — CID 17215780

IUPACN'-[[1-[(2-chlorophenyl)methyl]indol-3-yl]methyl]-N-ethylpropane-1,3-diamine
SMILESCCNCCCNCc1cn(Cc2ccccc2Cl)c2ccccc12
InChIInChI=1S/C21H26ClN3/c1-2-23-12-7-13-24-14-18-16-25(21-11-6-4-9-19(18)21)15-17-8-3-5-10-20(17)22/h3-6,8-11,16,23-24H,2,7,12-15H2,1H3
InChIKeyUMOLNEXJFOEMRT-UHFFFAOYSA-N
MW355.91 g/mol
LogP4.43
Rot. Bonds9

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

N'-[[1-[(2-chlorophenyl)methyl]indol-3-yl]methyl]-N-ethylpropane-1,3-diamine (PubChem CID 17215780) has the molecular formula C21H26ClN3 and a molecular weight of 355.91 g/mol. Its IUPAC name is N'-[[1-[(2-chlorophenyl)methyl]indol-3-yl]methyl]-N-ethylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-[[1-[(2-chlorophenyl)methyl]indol-3-yl]methyl]-N-ethylpropane-1,3-diamine
PubChem CID17215780
Molecular FormulaC21H26ClN3
Molecular Weight355.91 g/mol
Exact Mass355.18
IUPAC NameN'-[[1-[(2-chlorophenyl)methyl]indol-3-yl]methyl]-N-ethylpropane-1,3-diamine
SMILESCCNCCCNCc1cn(Cc2ccccc2Cl)c2ccccc12
InChIInChI=1S/C21H26ClN3/c1-2-23-12-7-13-24-14-18-16-25(21-11-6-4-9-19(18)21)15-17-8-3-5-10-20(17)22/h3-6,8-11,16,23-24H,2,7,12-15H2,1H3
InChIKeyUMOLNEXJFOEMRT-UHFFFAOYSA-N
XLogP4.43
TPSA28.99 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.91
LogP ≤ 54.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[[1-[(2-chlorophenyl)methyl]indol-3-yl]methyl]-N',N'-diethylpropane-1,3-diamine;dihydrochloride
CID 17215302
N-[[1-[(2-chlorophenyl)methyl]indol-3-yl]methyl]-2-(2-methoxyphenyl)ethanamine
CID 17207496
2-[[1-[(2-chlorophenyl)methyl]indol-3-yl]methylamino]acetic acid
CID 66528039
N-[[1-[(2,4-dichlorophenyl)methyl]indol-3-yl]methyl]heptan-1-amine;hydrochloride
CID 17157722
N-[[1-[(2-chlorophenyl)methyl]indol-3-yl]methyl]-4-phenylbutan-2-amine
CID 17211440
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
N-[[1-[(2-chlorophenyl)methyl]indol-3-yl]methyl]-1-[(2R)-1-ethylpyrrolidin-2-yl]methanamine
CID 51628483
2-[3-[(1-benzylindol-3-yl)methylamino]propylamino]ethanol
CID 124786070
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

Frequently Asked Questions

What is the IUPAC name of N'-[[1-[(2-chlorophenyl)methyl]indol-3-yl]methyl]-N-ethylpropane-1,3-diamine?
The IUPAC name of N'-[[1-[(2-chlorophenyl)methyl]indol-3-yl]methyl]-N-ethylpropane-1,3-diamine (CID 17215780) is N'-[[1-[(2-chlorophenyl)methyl]indol-3-yl]methyl]-N-ethylpropane-1,3-diamine.
What is the SMILES notation for N'-[[1-[(2-chlorophenyl)methyl]indol-3-yl]methyl]-N-ethylpropane-1,3-diamine?
The canonical SMILES for N'-[[1-[(2-chlorophenyl)methyl]indol-3-yl]methyl]-N-ethylpropane-1,3-diamine is CCNCCCNCc1cn(Cc2ccccc2Cl)c2ccccc12.
What is the InChIKey of N'-[[1-[(2-chlorophenyl)methyl]indol-3-yl]methyl]-N-ethylpropane-1,3-diamine?
The InChIKey is UMOLNEXJFOEMRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26ClN3/c1-2-23-12-7-13-24-14-18-16-25(21-11-6-4-9-19(18)21)15-17-8-3-5-10-20(17)22/h3-6,8-11,16,23-24H,2,7,12-15H2,1H3.
What are the key properties of N'-[[1-[(2-chlorophenyl)methyl]indol-3-yl]methyl]-N-ethylpropane-1,3-diamine?
N'-[[1-[(2-chlorophenyl)methyl]indol-3-yl]methyl]-N-ethylpropane-1,3-diamine has a molecular weight of 355.91 g/mol, XLogP of 4.43, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[[1-[(2-chlorophenyl)methyl]indol-3-yl]methyl]-N-ethylpropane-1,3-diamine is sourced from PubChem (CID 17215780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).