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

C23H30ClN3 — CID 124825576

IUPACN-[[1-[(4-chlorophenyl)methyl]indol-3-yl]methyl]-N',N'-diethylpropane-1,3-diamine
SMILESCCN(CC)CCCNCc1cn(Cc2ccc(Cl)cc2)c2ccccc12
InChIInChI=1S/C23H30ClN3/c1-3-26(4-2)15-7-14-25-16-20-18-27(23-9-6-5-8-22(20)23)17-19-10-12-21(24)13-11-19/h5-6,8-13,18,25H,3-4,7,14-17H2,1-2H3
InChIKeySAPSOLOGLQLREU-UHFFFAOYSA-N
MW383.97 g/mol
LogP5.16
Rot. Bonds10

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

N-[[1-[(4-chlorophenyl)methyl]indol-3-yl]methyl]-N',N'-diethylpropane-1,3-diamine (PubChem CID 124825576) has the molecular formula C23H30ClN3 and a molecular weight of 383.97 g/mol. Its IUPAC name is N-[[1-[(4-chlorophenyl)methyl]indol-3-yl]methyl]-N',N'-diethylpropane-1,3-diamine.

Molecular Properties

Compound NameN-[[1-[(4-chlorophenyl)methyl]indol-3-yl]methyl]-N',N'-diethylpropane-1,3-diamine
PubChem CID124825576
Molecular FormulaC23H30ClN3
Molecular Weight383.97 g/mol
Exact Mass383.21
IUPAC NameN-[[1-[(4-chlorophenyl)methyl]indol-3-yl]methyl]-N',N'-diethylpropane-1,3-diamine
SMILESCCN(CC)CCCNCc1cn(Cc2ccc(Cl)cc2)c2ccccc12
InChIInChI=1S/C23H30ClN3/c1-3-26(4-2)15-7-14-25-16-20-18-27(23-9-6-5-8-22(20)23)17-19-10-12-21(24)13-11-19/h5-6,8-13,18,25H,3-4,7,14-17H2,1-2H3
InChIKeySAPSOLOGLQLREU-UHFFFAOYSA-N
XLogP5.16
TPSA20.20 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.97
LogP ≤ 55.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[[1-[(4-chlorophenyl)methyl]indol-3-yl]methyl]-N',N'-diethylpropane-1,3-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[[1-[(2-chlorophenyl)methyl]indol-3-yl]methyl]-N',N'-diethylpropane-1,3-diamine;dihydrochloride
CID 17215302
N',N'-dibutyl-N-[[1-[(3-chlorophenyl)methyl]indol-3-yl]methyl]propane-1,3-diamine
CID 124823651
N-[[1-[(4-chlorophenyl)methyl]indol-3-yl]methyl]-3-methylbutan-1-amine
CID 124826333
N-[[1-[(3-chlorophenyl)methyl]indol-3-yl]methyl]-N',N'-dimethylpropane-1,3-diamine
CID 124805206
N-[[1-[(4-chlorophenyl)methyl]indol-3-yl]methyl]-1-phenylmethanamine
CID 124895180
N',N'-diethyl-N-[[1-[(3-methylphenyl)methyl]indol-3-yl]methyl]ethane-1,2-diamine
CID 124794918
3-[[1-[(4-methylphenyl)methyl]indol-3-yl]methylamino]propan-1-ol
CID 124815391
N-[[1-[(4-chlorophenyl)methyl]indol-3-yl]methyl]-1-(4-methylphenyl)methanamine
CID 124816345
3-[(1-benzylindol-3-yl)methylamino]propan-1-ol
CID 119027419
N-[[1-[(2-chloro-4-fluorophenyl)methyl]indol-3-yl]methyl]-N',N'-diethylethane-1,2-diamine
CID 124824977
N-[[1-[(3,4-dichlorophenyl)methyl]indol-3-yl]methyl]hexan-1-amine
CID 124826287
2-[3-[(1-benzylindol-3-yl)methylamino]propylamino]ethanol
CID 124786070

Frequently Asked Questions

What is the IUPAC name of N-[[1-[(4-chlorophenyl)methyl]indol-3-yl]methyl]-N',N'-diethylpropane-1,3-diamine?
The IUPAC name of N-[[1-[(4-chlorophenyl)methyl]indol-3-yl]methyl]-N',N'-diethylpropane-1,3-diamine (CID 124825576) is N-[[1-[(4-chlorophenyl)methyl]indol-3-yl]methyl]-N',N'-diethylpropane-1,3-diamine.
What is the SMILES notation for N-[[1-[(4-chlorophenyl)methyl]indol-3-yl]methyl]-N',N'-diethylpropane-1,3-diamine?
The canonical SMILES for N-[[1-[(4-chlorophenyl)methyl]indol-3-yl]methyl]-N',N'-diethylpropane-1,3-diamine is CCN(CC)CCCNCc1cn(Cc2ccc(Cl)cc2)c2ccccc12.
What is the InChIKey of N-[[1-[(4-chlorophenyl)methyl]indol-3-yl]methyl]-N',N'-diethylpropane-1,3-diamine?
The InChIKey is SAPSOLOGLQLREU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30ClN3/c1-3-26(4-2)15-7-14-25-16-20-18-27(23-9-6-5-8-22(20)23)17-19-10-12-21(24)13-11-19/h5-6,8-13,18,25H,3-4,7,14-17H2,1-2H3.
What are the key properties of N-[[1-[(4-chlorophenyl)methyl]indol-3-yl]methyl]-N',N'-diethylpropane-1,3-diamine?
N-[[1-[(4-chlorophenyl)methyl]indol-3-yl]methyl]-N',N'-diethylpropane-1,3-diamine has a molecular weight of 383.97 g/mol, XLogP of 5.16, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(4-chlorophenyl)methyl]indol-3-yl]methyl]-N',N'-diethylpropane-1,3-diamine is sourced from PubChem (CID 124825576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).