N',N'-diethyl-N-[[1-[(3-methylphenyl)methyl]indol-3-yl]methyl]ethane-1,2-diamine

C23H31N3 — CID 124794918

IUPACN',N'-diethyl-N-[[1-[(3-methylphenyl)methyl]indol-3-yl]methyl]ethane-1,2-diamine
SMILESCCN(CC)CCNCc1cn(Cc2cccc(C)c2)c2ccccc12
InChIInChI=1S/C23H31N3/c1-4-25(5-2)14-13-24-16-21-18-26(23-12-7-6-11-22(21)23)17-20-10-8-9-19(3)15-20/h6-12,15,18,24H,4-5,13-14,16-17H2,1-3H3
InChIKeyAOOQBALUERVKSG-UHFFFAOYSA-N
MW349.52 g/mol
LogP4.43
Rot. Bonds9

About N',N'-diethyl-N-[[1-[(3-methylphenyl)methyl]indol-3-yl]methyl]ethane-1,2-diamine

N',N'-diethyl-N-[[1-[(3-methylphenyl)methyl]indol-3-yl]methyl]ethane-1,2-diamine (PubChem CID 124794918) has the molecular formula C23H31N3 and a molecular weight of 349.52 g/mol. Its IUPAC name is N',N'-diethyl-N-[[1-[(3-methylphenyl)methyl]indol-3-yl]methyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN',N'-diethyl-N-[[1-[(3-methylphenyl)methyl]indol-3-yl]methyl]ethane-1,2-diamine
PubChem CID124794918
Molecular FormulaC23H31N3
Molecular Weight349.52 g/mol
Exact Mass349.25
IUPAC NameN',N'-diethyl-N-[[1-[(3-methylphenyl)methyl]indol-3-yl]methyl]ethane-1,2-diamine
SMILESCCN(CC)CCNCc1cn(Cc2cccc(C)c2)c2ccccc12
InChIInChI=1S/C23H31N3/c1-4-25(5-2)14-13-24-16-21-18-26(23-12-7-6-11-22(21)23)17-20-10-8-9-19(3)15-20/h6-12,15,18,24H,4-5,13-14,16-17H2,1-3H3
InChIKeyAOOQBALUERVKSG-UHFFFAOYSA-N
XLogP4.43
TPSA20.20 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.52
LogP ≤ 54.43
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-[[1-[(3-methylphenyl)methyl]indol-3-yl]methyl]prop-2-en-1-amine
CID 119027434
N-[[1-[(4-chlorophenyl)methyl]indol-3-yl]methyl]-N',N'-diethylpropane-1,3-diamine
CID 124825576
N-[[1-[(2-chloro-4-fluorophenyl)methyl]indol-3-yl]methyl]-N',N'-diethylethane-1,2-diamine
CID 124824977
N-[[1-[(3-methylphenyl)methyl]indol-3-yl]methyl]-1-pyridin-2-ylmethanamine
CID 124799232
(2S)-2-[[1-[(3-methylphenyl)methyl]indol-3-yl]methylamino]butan-1-ol
CID 124801826
N',N'-dibutyl-N-[[1-[(3-chlorophenyl)methyl]indol-3-yl]methyl]propane-1,3-diamine
CID 124823651
N-[[1-[(3-chlorophenyl)methyl]indol-3-yl]methyl]-N',N'-dimethylpropane-1,3-diamine
CID 124805206
N-[[1-[(2-chlorophenyl)methyl]indol-3-yl]methyl]-N',N'-diethylpropane-1,3-diamine;dihydrochloride
CID 17215302
N-[[1-[(2,6-dichlorophenyl)methyl]indol-3-yl]methyl]-N',N'-dimethylethane-1,2-diamine
CID 124801601
3-[[1-[(4-methylphenyl)methyl]indol-3-yl]methylamino]propan-1-ol
CID 124815391
1-[(3-methylphenyl)methyl]-3-[3-(4-methylpiperazin-1-yl)propyl]indole
CID 170864392
3-[(1-benzylindol-3-yl)methylamino]propan-1-ol
CID 119027419

Frequently Asked Questions

What is the IUPAC name of N',N'-diethyl-N-[[1-[(3-methylphenyl)methyl]indol-3-yl]methyl]ethane-1,2-diamine?
The IUPAC name of N',N'-diethyl-N-[[1-[(3-methylphenyl)methyl]indol-3-yl]methyl]ethane-1,2-diamine (CID 124794918) is N',N'-diethyl-N-[[1-[(3-methylphenyl)methyl]indol-3-yl]methyl]ethane-1,2-diamine.
What is the SMILES notation for N',N'-diethyl-N-[[1-[(3-methylphenyl)methyl]indol-3-yl]methyl]ethane-1,2-diamine?
The canonical SMILES for N',N'-diethyl-N-[[1-[(3-methylphenyl)methyl]indol-3-yl]methyl]ethane-1,2-diamine is CCN(CC)CCNCc1cn(Cc2cccc(C)c2)c2ccccc12.
What is the InChIKey of N',N'-diethyl-N-[[1-[(3-methylphenyl)methyl]indol-3-yl]methyl]ethane-1,2-diamine?
The InChIKey is AOOQBALUERVKSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N3/c1-4-25(5-2)14-13-24-16-21-18-26(23-12-7-6-11-22(21)23)17-20-10-8-9-19(3)15-20/h6-12,15,18,24H,4-5,13-14,16-17H2,1-3H3.
What are the key properties of N',N'-diethyl-N-[[1-[(3-methylphenyl)methyl]indol-3-yl]methyl]ethane-1,2-diamine?
N',N'-diethyl-N-[[1-[(3-methylphenyl)methyl]indol-3-yl]methyl]ethane-1,2-diamine has a molecular weight of 349.52 g/mol, XLogP of 4.43, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-diethyl-N-[[1-[(3-methylphenyl)methyl]indol-3-yl]methyl]ethane-1,2-diamine is sourced from PubChem (CID 124794918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).