N'-[2-(2-chlorophenyl)ethyl]-N-[2-(3-methylphenyl)ethyl]ethane-1,2-diamine

C19H25ClN2 — CID 23394673

IUPACN'-[2-(2-chlorophenyl)ethyl]-N-[2-(3-methylphenyl)ethyl]ethane-1,2-diamine
SMILESCc1cccc(CCNCCNCCc2ccccc2Cl)c1
InChIInChI=1S/C19H25ClN2/c1-16-5-4-6-17(15-16)9-11-21-13-14-22-12-10-18-7-2-3-8-19(18)20/h2-8,15,21-22H,9-14H2,1H3
InChIKeyQBIACIOERIWDIK-UHFFFAOYSA-N
MW316.88 g/mol
LogP3.61
Rot. Bonds9

About N'-[2-(2-chlorophenyl)ethyl]-N-[2-(3-methylphenyl)ethyl]ethane-1,2-diamine

N'-[2-(2-chlorophenyl)ethyl]-N-[2-(3-methylphenyl)ethyl]ethane-1,2-diamine (PubChem CID 23394673) has the molecular formula C19H25ClN2 and a molecular weight of 316.88 g/mol. Its IUPAC name is N'-[2-(2-chlorophenyl)ethyl]-N-[2-(3-methylphenyl)ethyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN'-[2-(2-chlorophenyl)ethyl]-N-[2-(3-methylphenyl)ethyl]ethane-1,2-diamine
PubChem CID23394673
Molecular FormulaC19H25ClN2
Molecular Weight316.88 g/mol
Exact Mass316.17
IUPAC NameN'-[2-(2-chlorophenyl)ethyl]-N-[2-(3-methylphenyl)ethyl]ethane-1,2-diamine
SMILESCc1cccc(CCNCCNCCc2ccccc2Cl)c1
InChIInChI=1S/C19H25ClN2/c1-16-5-4-6-17(15-16)9-11-21-13-14-22-12-10-18-7-2-3-8-19(18)20/h2-8,15,21-22H,9-14H2,1H3
InChIKeyQBIACIOERIWDIK-UHFFFAOYSA-N
XLogP3.61
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.88
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-[2-(2-chlorophenyl)ethyl]-N-[2-(3-methylphenyl)ethyl]ethane-1,2-diamine?
The IUPAC name of N'-[2-(2-chlorophenyl)ethyl]-N-[2-(3-methylphenyl)ethyl]ethane-1,2-diamine (CID 23394673) is N'-[2-(2-chlorophenyl)ethyl]-N-[2-(3-methylphenyl)ethyl]ethane-1,2-diamine.
What is the SMILES notation for N'-[2-(2-chlorophenyl)ethyl]-N-[2-(3-methylphenyl)ethyl]ethane-1,2-diamine?
The canonical SMILES for N'-[2-(2-chlorophenyl)ethyl]-N-[2-(3-methylphenyl)ethyl]ethane-1,2-diamine is Cc1cccc(CCNCCNCCc2ccccc2Cl)c1.
What is the InChIKey of N'-[2-(2-chlorophenyl)ethyl]-N-[2-(3-methylphenyl)ethyl]ethane-1,2-diamine?
The InChIKey is QBIACIOERIWDIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25ClN2/c1-16-5-4-6-17(15-16)9-11-21-13-14-22-12-10-18-7-2-3-8-19(18)20/h2-8,15,21-22H,9-14H2,1H3.
What are the key properties of N'-[2-(2-chlorophenyl)ethyl]-N-[2-(3-methylphenyl)ethyl]ethane-1,2-diamine?
N'-[2-(2-chlorophenyl)ethyl]-N-[2-(3-methylphenyl)ethyl]ethane-1,2-diamine has a molecular weight of 316.88 g/mol, XLogP of 3.61, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(2-chlorophenyl)ethyl]-N-[2-(3-methylphenyl)ethyl]ethane-1,2-diamine is sourced from PubChem (CID 23394673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).