N-(4-ethylphenyl)-N-methyl-1-(oxolan-2-yl)ethane-1,2-diamine

C15H24N2O — CID 82835210

IUPACN-(4-ethylphenyl)-N-methyl-1-(oxolan-2-yl)ethane-1,2-diamine
SMILESCCc1ccc(N(C)C(CN)C2CCCO2)cc1
InChIInChI=1S/C15H24N2O/c1-3-12-6-8-13(9-7-12)17(2)14(11-16)15-5-4-10-18-15/h6-9,14-15H,3-5,10-11,16H2,1-2H3
InChIKeyZABIYOVKDSJMLJ-UHFFFAOYSA-N
MW248.37 g/mol
LogP2.19
Rot. Bonds5

About N-(4-ethylphenyl)-N-methyl-1-(oxolan-2-yl)ethane-1,2-diamine

N-(4-ethylphenyl)-N-methyl-1-(oxolan-2-yl)ethane-1,2-diamine (PubChem CID 82835210) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is N-(4-ethylphenyl)-N-methyl-1-(oxolan-2-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN-(4-ethylphenyl)-N-methyl-1-(oxolan-2-yl)ethane-1,2-diamine
PubChem CID82835210
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC NameN-(4-ethylphenyl)-N-methyl-1-(oxolan-2-yl)ethane-1,2-diamine
SMILESCCc1ccc(N(C)C(CN)C2CCCO2)cc1
InChIInChI=1S/C15H24N2O/c1-3-12-6-8-13(9-7-12)17(2)14(11-16)15-5-4-10-18-15/h6-9,14-15H,3-5,10-11,16H2,1-2H3
InChIKeyZABIYOVKDSJMLJ-UHFFFAOYSA-N
XLogP2.19
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(4-ethylphenyl)-N-methyl-1-(oxolan-2-yl)ethane-1,2-diamine?
The IUPAC name of N-(4-ethylphenyl)-N-methyl-1-(oxolan-2-yl)ethane-1,2-diamine (CID 82835210) is N-(4-ethylphenyl)-N-methyl-1-(oxolan-2-yl)ethane-1,2-diamine.
What is the SMILES notation for N-(4-ethylphenyl)-N-methyl-1-(oxolan-2-yl)ethane-1,2-diamine?
The canonical SMILES for N-(4-ethylphenyl)-N-methyl-1-(oxolan-2-yl)ethane-1,2-diamine is CCc1ccc(N(C)C(CN)C2CCCO2)cc1.
What is the InChIKey of N-(4-ethylphenyl)-N-methyl-1-(oxolan-2-yl)ethane-1,2-diamine?
The InChIKey is ZABIYOVKDSJMLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-3-12-6-8-13(9-7-12)17(2)14(11-16)15-5-4-10-18-15/h6-9,14-15H,3-5,10-11,16H2,1-2H3.
What are the key properties of N-(4-ethylphenyl)-N-methyl-1-(oxolan-2-yl)ethane-1,2-diamine?
N-(4-ethylphenyl)-N-methyl-1-(oxolan-2-yl)ethane-1,2-diamine has a molecular weight of 248.37 g/mol, XLogP of 2.19, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethylphenyl)-N-methyl-1-(oxolan-2-yl)ethane-1,2-diamine is sourced from PubChem (CID 82835210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).