N',N'-dimethyl-N-[3-(2-phenylphenoxy)propyl]ethane-1,2-diamine

C19H26N2O — CID 2221388

IUPACN',N'-dimethyl-N-[3-(2-phenylphenoxy)propyl]ethane-1,2-diamine
SMILESCN(C)CCNCCCOc1ccccc1-c1ccccc1
InChIInChI=1S/C19H26N2O/c1-21(2)15-14-20-13-8-16-22-19-12-7-6-11-18(19)17-9-4-3-5-10-17/h3-7,9-12,20H,8,13-16H2,1-2H3
InChIKeyDNAFOELKWSTDHI-UHFFFAOYSA-N
MW298.43 g/mol
LogP3.27
Rot. Bonds9

About N',N'-dimethyl-N-[3-(2-phenylphenoxy)propyl]ethane-1,2-diamine

N',N'-dimethyl-N-[3-(2-phenylphenoxy)propyl]ethane-1,2-diamine (PubChem CID 2221388) has the molecular formula C19H26N2O and a molecular weight of 298.43 g/mol. Its IUPAC name is N',N'-dimethyl-N-[3-(2-phenylphenoxy)propyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN',N'-dimethyl-N-[3-(2-phenylphenoxy)propyl]ethane-1,2-diamine
PubChem CID2221388
Molecular FormulaC19H26N2O
Molecular Weight298.43 g/mol
Exact Mass298.20
IUPAC NameN',N'-dimethyl-N-[3-(2-phenylphenoxy)propyl]ethane-1,2-diamine
SMILESCN(C)CCNCCCOc1ccccc1-c1ccccc1
InChIInChI=1S/C19H26N2O/c1-21(2)15-14-20-13-8-16-22-19-12-7-6-11-18(19)17-9-4-3-5-10-17/h3-7,9-12,20H,8,13-16H2,1-2H3
InChIKeyDNAFOELKWSTDHI-UHFFFAOYSA-N
XLogP3.27
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.43
LogP ≤ 53.27
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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Frequently Asked Questions

What is the IUPAC name of N',N'-dimethyl-N-[3-(2-phenylphenoxy)propyl]ethane-1,2-diamine?
The IUPAC name of N',N'-dimethyl-N-[3-(2-phenylphenoxy)propyl]ethane-1,2-diamine (CID 2221388) is N',N'-dimethyl-N-[3-(2-phenylphenoxy)propyl]ethane-1,2-diamine.
What is the SMILES notation for N',N'-dimethyl-N-[3-(2-phenylphenoxy)propyl]ethane-1,2-diamine?
The canonical SMILES for N',N'-dimethyl-N-[3-(2-phenylphenoxy)propyl]ethane-1,2-diamine is CN(C)CCNCCCOc1ccccc1-c1ccccc1.
What is the InChIKey of N',N'-dimethyl-N-[3-(2-phenylphenoxy)propyl]ethane-1,2-diamine?
The InChIKey is DNAFOELKWSTDHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O/c1-21(2)15-14-20-13-8-16-22-19-12-7-6-11-18(19)17-9-4-3-5-10-17/h3-7,9-12,20H,8,13-16H2,1-2H3.
What are the key properties of N',N'-dimethyl-N-[3-(2-phenylphenoxy)propyl]ethane-1,2-diamine?
N',N'-dimethyl-N-[3-(2-phenylphenoxy)propyl]ethane-1,2-diamine has a molecular weight of 298.43 g/mol, XLogP of 3.27, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-dimethyl-N-[3-(2-phenylphenoxy)propyl]ethane-1,2-diamine is sourced from PubChem (CID 2221388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).