2-N-(2-ethoxyethyl)-1-N,2-N-dimethyl-1-phenylbutane-1,2-diamine

C16H28N2O — CID 81058735

IUPAC2-N-(2-ethoxyethyl)-1-N,2-N-dimethyl-1-phenylbutane-1,2-diamine
SMILESCCOCCN(C)C(CC)C(NC)c1ccccc1
InChIInChI=1S/C16H28N2O/c1-5-15(18(4)12-13-19-6-2)16(17-3)14-10-8-7-9-11-14/h7-11,15-17H,5-6,12-13H2,1-4H3
InChIKeyWEJGGHQLUDLWQN-UHFFFAOYSA-N
MW264.41 g/mol
LogP2.69
Rot. Bonds9

About 2-N-(2-ethoxyethyl)-1-N,2-N-dimethyl-1-phenylbutane-1,2-diamine

2-N-(2-ethoxyethyl)-1-N,2-N-dimethyl-1-phenylbutane-1,2-diamine (PubChem CID 81058735) has the molecular formula C16H28N2O and a molecular weight of 264.41 g/mol. Its IUPAC name is 2-N-(2-ethoxyethyl)-1-N,2-N-dimethyl-1-phenylbutane-1,2-diamine.

Molecular Properties

Compound Name2-N-(2-ethoxyethyl)-1-N,2-N-dimethyl-1-phenylbutane-1,2-diamine
PubChem CID81058735
Molecular FormulaC16H28N2O
Molecular Weight264.41 g/mol
Exact Mass264.22
IUPAC Name2-N-(2-ethoxyethyl)-1-N,2-N-dimethyl-1-phenylbutane-1,2-diamine
SMILESCCOCCN(C)C(CC)C(NC)c1ccccc1
InChIInChI=1S/C16H28N2O/c1-5-15(18(4)12-13-19-6-2)16(17-3)14-10-8-7-9-11-14/h7-11,15-17H,5-6,12-13H2,1-4H3
InChIKeyWEJGGHQLUDLWQN-UHFFFAOYSA-N
XLogP2.69
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.41
LogP ≤ 52.69
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-(2-ethoxyethyl)-1-N,2-N-dimethyl-1-(4-methylphenyl)propane-1,2-diamine
CID 81058933
2-N-(2-ethoxyethyl)-2-N-methyl-1-N-phenylpropane-1,2-diamine
CID 81068786
1-N,2-N-dimethyl-2-N-(oxan-4-ylmethyl)-1-phenylbutane-1,2-diamine
CID 63727526
N-(2-ethoxyethyl)-N-methyl-2-phenylbutan-1-amine
CID 71031505
N,N-bis(2-ethoxyethyl)-N'-methyl-1-phenylethane-1,2-diamine
CID 82940241
2-N-(3-methoxypropyl)-2-N-methyl-1-phenyl-1-N-propylbutane-1,2-diamine
CID 62985023
2-N-methyl-2-N-pentyl-1-phenyl-1-N-propylbutane-1,2-diamine
CID 63469362
2-N-methyl-2-N-(3-methylbutyl)-1-phenyl-1-N-propylbutane-1,2-diamine
CID 63467773
3-[2-ethoxyethyl(methyl)amino]-N'-hydroxy-3-phenylpropanimidamide
CID 81055642
3-bromo-N-(2-ethoxyethyl)-N-methyl-2-phenylpropan-1-amine
CID 81062061
N,N',2-trimethyl-N'-(2-methylbutyl)-1-phenylpropane-1,3-diamine
CID 62619073
N-(2-ethoxyethyl)-N-methyl-2-[1-(methylamino)ethyl]aniline
CID 81055457

Frequently Asked Questions

What is the IUPAC name of 2-N-(2-ethoxyethyl)-1-N,2-N-dimethyl-1-phenylbutane-1,2-diamine?
The IUPAC name of 2-N-(2-ethoxyethyl)-1-N,2-N-dimethyl-1-phenylbutane-1,2-diamine (CID 81058735) is 2-N-(2-ethoxyethyl)-1-N,2-N-dimethyl-1-phenylbutane-1,2-diamine.
What is the SMILES notation for 2-N-(2-ethoxyethyl)-1-N,2-N-dimethyl-1-phenylbutane-1,2-diamine?
The canonical SMILES for 2-N-(2-ethoxyethyl)-1-N,2-N-dimethyl-1-phenylbutane-1,2-diamine is CCOCCN(C)C(CC)C(NC)c1ccccc1.
What is the InChIKey of 2-N-(2-ethoxyethyl)-1-N,2-N-dimethyl-1-phenylbutane-1,2-diamine?
The InChIKey is WEJGGHQLUDLWQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O/c1-5-15(18(4)12-13-19-6-2)16(17-3)14-10-8-7-9-11-14/h7-11,15-17H,5-6,12-13H2,1-4H3.
What are the key properties of 2-N-(2-ethoxyethyl)-1-N,2-N-dimethyl-1-phenylbutane-1,2-diamine?
2-N-(2-ethoxyethyl)-1-N,2-N-dimethyl-1-phenylbutane-1,2-diamine has a molecular weight of 264.41 g/mol, XLogP of 2.69, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(2-ethoxyethyl)-1-N,2-N-dimethyl-1-phenylbutane-1,2-diamine is sourced from PubChem (CID 81058735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).