2-N-(2-ethoxyethyl)-2-N-methyl-1-N-phenylpropane-1,2-diamine

C14H24N2O — CID 81068786

IUPAC2-N-(2-ethoxyethyl)-2-N-methyl-1-N-phenylpropane-1,2-diamine
SMILESCCOCCN(C)C(C)CNc1ccccc1
InChIInChI=1S/C14H24N2O/c1-4-17-11-10-16(3)13(2)12-15-14-8-6-5-7-9-14/h5-9,13,15H,4,10-12H2,1-3H3
InChIKeyCSKSEHOCRRUSNK-UHFFFAOYSA-N
MW236.36 g/mol
LogP2.46
Rot. Bonds8

About 2-N-(2-ethoxyethyl)-2-N-methyl-1-N-phenylpropane-1,2-diamine

2-N-(2-ethoxyethyl)-2-N-methyl-1-N-phenylpropane-1,2-diamine (PubChem CID 81068786) has the molecular formula C14H24N2O and a molecular weight of 236.36 g/mol. Its IUPAC name is 2-N-(2-ethoxyethyl)-2-N-methyl-1-N-phenylpropane-1,2-diamine.

Molecular Properties

Compound Name2-N-(2-ethoxyethyl)-2-N-methyl-1-N-phenylpropane-1,2-diamine
PubChem CID81068786
Molecular FormulaC14H24N2O
Molecular Weight236.36 g/mol
Exact Mass236.19
IUPAC Name2-N-(2-ethoxyethyl)-2-N-methyl-1-N-phenylpropane-1,2-diamine
SMILESCCOCCN(C)C(C)CNc1ccccc1
InChIInChI=1S/C14H24N2O/c1-4-17-11-10-16(3)13(2)12-15-14-8-6-5-7-9-14/h5-9,13,15H,4,10-12H2,1-3H3
InChIKeyCSKSEHOCRRUSNK-UHFFFAOYSA-N
XLogP2.46
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 52.46
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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Related Compounds

2-N-methyl-1-N-phenyl-2-N-(2-propan-2-yloxyethyl)propane-1,2-diamine
CID 81068114
2-N-(2-ethoxyethyl)-1-N,2-N-dimethyl-1-phenylbutane-1,2-diamine
CID 81058735
N'-(1-methoxypropan-2-yl)-N'-methyl-N-phenylpropane-1,3-diamine
CID 62568765
N-[2-(2-ethoxyethoxy)ethyl]aniline
CID 23009140
2-N-[2-(dimethylamino)ethyl]-1-N-phenyl-2-N-propylpropane-1,2-diamine
CID 62568173
2-N-butan-2-yl-2-N-ethyl-1-N-phenylpropane-1,2-diamine
CID 62569514
N-(12-ethoxydodecyl)aniline
CID 54545171
N-(2-propoxypropyl)aniline
CID 62585259
2-N-[(1-ethylpyrrolidin-2-yl)methyl]-2-N-methyl-1-N-phenylpropane-1,2-diamine
CID 79312886
N-(2-diethoxysilylpropyl)aniline
CID 154345084
3-(2-ethoxyethoxy)-N-(2-phenoxybutyl)aniline
CID 54802089
N,N-bis(2-ethoxyethyl)-N'-methyl-1-phenylethane-1,2-diamine
CID 82940241

Frequently Asked Questions

What is the IUPAC name of 2-N-(2-ethoxyethyl)-2-N-methyl-1-N-phenylpropane-1,2-diamine?
The IUPAC name of 2-N-(2-ethoxyethyl)-2-N-methyl-1-N-phenylpropane-1,2-diamine (CID 81068786) is 2-N-(2-ethoxyethyl)-2-N-methyl-1-N-phenylpropane-1,2-diamine.
What is the SMILES notation for 2-N-(2-ethoxyethyl)-2-N-methyl-1-N-phenylpropane-1,2-diamine?
The canonical SMILES for 2-N-(2-ethoxyethyl)-2-N-methyl-1-N-phenylpropane-1,2-diamine is CCOCCN(C)C(C)CNc1ccccc1.
What is the InChIKey of 2-N-(2-ethoxyethyl)-2-N-methyl-1-N-phenylpropane-1,2-diamine?
The InChIKey is CSKSEHOCRRUSNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O/c1-4-17-11-10-16(3)13(2)12-15-14-8-6-5-7-9-14/h5-9,13,15H,4,10-12H2,1-3H3.
What are the key properties of 2-N-(2-ethoxyethyl)-2-N-methyl-1-N-phenylpropane-1,2-diamine?
2-N-(2-ethoxyethyl)-2-N-methyl-1-N-phenylpropane-1,2-diamine has a molecular weight of 236.36 g/mol, XLogP of 2.46, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(2-ethoxyethyl)-2-N-methyl-1-N-phenylpropane-1,2-diamine is sourced from PubChem (CID 81068786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).