N,N'-bis[2-(2-chlorophenyl)ethyl]octane-1,8-diamine

C24H34Cl2N2 — CID 24840689

IUPACN,N'-bis[2-(2-chlorophenyl)ethyl]octane-1,8-diamine
SMILESClc1ccccc1CCNCCCCCCCCNCCc1ccccc1Cl
InChIInChI=1S/C24H34Cl2N2/c25-23-13-7-5-11-21(23)15-19-27-17-9-3-1-2-4-10-18-28-20-16-22-12-6-8-14-24(22)26/h5-8,11-14,27-28H,1-4,9-10,15-20H2
InChIKeyGRNHOCSSBQOQJP-UHFFFAOYSA-N
MW421.46 g/mol
LogP6.30
Rot. Bonds15

About N,N'-bis[2-(2-chlorophenyl)ethyl]octane-1,8-diamine

N,N'-bis[2-(2-chlorophenyl)ethyl]octane-1,8-diamine (PubChem CID 24840689) has the molecular formula C24H34Cl2N2 and a molecular weight of 421.46 g/mol. Its IUPAC name is N,N'-bis[2-(2-chlorophenyl)ethyl]octane-1,8-diamine.

Molecular Properties

Compound NameN,N'-bis[2-(2-chlorophenyl)ethyl]octane-1,8-diamine
PubChem CID24840689
Molecular FormulaC24H34Cl2N2
Molecular Weight421.46 g/mol
Exact Mass420.21
IUPAC NameN,N'-bis[2-(2-chlorophenyl)ethyl]octane-1,8-diamine
SMILESClc1ccccc1CCNCCCCCCCCNCCc1ccccc1Cl
InChIInChI=1S/C24H34Cl2N2/c25-23-13-7-5-11-21(23)15-19-27-17-9-3-1-2-4-10-18-28-20-16-22-12-6-8-14-24(22)26/h5-8,11-14,27-28H,1-4,9-10,15-20H2
InChIKeyGRNHOCSSBQOQJP-UHFFFAOYSA-N
XLogP6.30
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds15
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.46
LogP ≤ 56.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N,N'-bis[2-(2-chlorophenyl)ethyl]octane-1,8-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

2-(2-chlorophenyl)-N-[2-(2-chlorophenyl)ethyl]ethanamine
CID 70453735
N,N'-bis[(2-chlorophenyl)methyl]hexane-1,6-diamine
CID 16340
2-[3-(2-chlorophenyl)propylamino]ethanol
CID 70464320
N'-[(2-chlorophenyl)methyl]-N-[2-[2-[7-[(2-chlorophenyl)methylamino]heptylamino]ethyldisulfanyl]ethyl]heptane-1,7-diamine;hydrochloride
CID 90679903
2-(2-chlorophenyl)-N-(cyclopropylmethyl)ethanamine
CID 60984047
1-chloro-2-(2-chloroethyl)benzene
CID 12587535
N-[3-(2-chlorophenyl)propyl]-2-methylpropan-1-amine
CID 62531246
N'-[(2-chlorophenyl)methyl]-N-(2-phenylethyl)ethane-1,2-diamine
CID 54806960
1-chloro-2-(13-chlorotridecyl)benzene
CID 141077015
N-[3-[2-(2-chlorophenyl)ethylcarbamoylamino]propyl]formamide
CID 108900336
3-(2-chlorophenyl)-N-[(4-fluorophenyl)methyl]propan-1-amine
CID 22660905
1-(8-bromooctyl)-2-chlorobenzene
CID 18786455

Frequently Asked Questions

What is the IUPAC name of N,N'-bis[2-(2-chlorophenyl)ethyl]octane-1,8-diamine?
The IUPAC name of N,N'-bis[2-(2-chlorophenyl)ethyl]octane-1,8-diamine (CID 24840689) is N,N'-bis[2-(2-chlorophenyl)ethyl]octane-1,8-diamine.
What is the SMILES notation for N,N'-bis[2-(2-chlorophenyl)ethyl]octane-1,8-diamine?
The canonical SMILES for N,N'-bis[2-(2-chlorophenyl)ethyl]octane-1,8-diamine is Clc1ccccc1CCNCCCCCCCCNCCc1ccccc1Cl.
What is the InChIKey of N,N'-bis[2-(2-chlorophenyl)ethyl]octane-1,8-diamine?
The InChIKey is GRNHOCSSBQOQJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34Cl2N2/c25-23-13-7-5-11-21(23)15-19-27-17-9-3-1-2-4-10-18-28-20-16-22-12-6-8-14-24(22)26/h5-8,11-14,27-28H,1-4,9-10,15-20H2.
What are the key properties of N,N'-bis[2-(2-chlorophenyl)ethyl]octane-1,8-diamine?
N,N'-bis[2-(2-chlorophenyl)ethyl]octane-1,8-diamine has a molecular weight of 421.46 g/mol, XLogP of 6.30, 15 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis[2-(2-chlorophenyl)ethyl]octane-1,8-diamine is sourced from PubChem (CID 24840689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).