1-N-(2-ethoxyethyl)-1-N-methyl-3-phenylpropane-1,2-diamine

C14H24N2O — CID 81055986

IUPAC1-N-(2-ethoxyethyl)-1-N-methyl-3-phenylpropane-1,2-diamine
SMILESCCOCCN(C)CC(N)Cc1ccccc1
InChIInChI=1S/C14H24N2O/c1-3-17-10-9-16(2)12-14(15)11-13-7-5-4-6-8-13/h4-8,14H,3,9-12,15H2,1-2H3
InChIKeyRHDFMHJMSULJIT-UHFFFAOYSA-N
MW236.36 g/mol
LogP1.52
Rot. Bonds8

About 1-N-(2-ethoxyethyl)-1-N-methyl-3-phenylpropane-1,2-diamine

1-N-(2-ethoxyethyl)-1-N-methyl-3-phenylpropane-1,2-diamine (PubChem CID 81055986) has the molecular formula C14H24N2O and a molecular weight of 236.36 g/mol. Its IUPAC name is 1-N-(2-ethoxyethyl)-1-N-methyl-3-phenylpropane-1,2-diamine.

Molecular Properties

Compound Name1-N-(2-ethoxyethyl)-1-N-methyl-3-phenylpropane-1,2-diamine
PubChem CID81055986
Molecular FormulaC14H24N2O
Molecular Weight236.36 g/mol
Exact Mass236.19
IUPAC Name1-N-(2-ethoxyethyl)-1-N-methyl-3-phenylpropane-1,2-diamine
SMILESCCOCCN(C)CC(N)Cc1ccccc1
InChIInChI=1S/C14H24N2O/c1-3-17-10-9-16(2)12-14(15)11-13-7-5-4-6-8-13/h4-8,14H,3,9-12,15H2,1-2H3
InChIKeyRHDFMHJMSULJIT-UHFFFAOYSA-N
XLogP1.52
TPSA38.49 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 ≤ 51.52
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 1-N-(2-ethoxyethyl)-1-N-methyl-3-phenylpropane-1,2-diamine?
The IUPAC name of 1-N-(2-ethoxyethyl)-1-N-methyl-3-phenylpropane-1,2-diamine (CID 81055986) is 1-N-(2-ethoxyethyl)-1-N-methyl-3-phenylpropane-1,2-diamine.
What is the SMILES notation for 1-N-(2-ethoxyethyl)-1-N-methyl-3-phenylpropane-1,2-diamine?
The canonical SMILES for 1-N-(2-ethoxyethyl)-1-N-methyl-3-phenylpropane-1,2-diamine is CCOCCN(C)CC(N)Cc1ccccc1.
What is the InChIKey of 1-N-(2-ethoxyethyl)-1-N-methyl-3-phenylpropane-1,2-diamine?
The InChIKey is RHDFMHJMSULJIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O/c1-3-17-10-9-16(2)12-14(15)11-13-7-5-4-6-8-13/h4-8,14H,3,9-12,15H2,1-2H3.
What are the key properties of 1-N-(2-ethoxyethyl)-1-N-methyl-3-phenylpropane-1,2-diamine?
1-N-(2-ethoxyethyl)-1-N-methyl-3-phenylpropane-1,2-diamine has a molecular weight of 236.36 g/mol, XLogP of 1.52, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(2-ethoxyethyl)-1-N-methyl-3-phenylpropane-1,2-diamine is sourced from PubChem (CID 81055986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).