2-N-(2-ethoxyethyl)-1-N,2-N-dimethyl-1-(4-methylphenyl)propane-1,2-diamine

C16H28N2O — CID 81058933

IUPAC2-N-(2-ethoxyethyl)-1-N,2-N-dimethyl-1-(4-methylphenyl)propane-1,2-diamine
SMILESCCOCCN(C)C(C)C(NC)c1ccc(C)cc1
InChIInChI=1S/C16H28N2O/c1-6-19-12-11-18(5)14(3)16(17-4)15-9-7-13(2)8-10-15/h7-10,14,16-17H,6,11-12H2,1-5H3
InChIKeyBLAAAYMMGKYYHQ-UHFFFAOYSA-N
MW264.41 g/mol
LogP2.61
Rot. Bonds8

About 2-N-(2-ethoxyethyl)-1-N,2-N-dimethyl-1-(4-methylphenyl)propane-1,2-diamine

2-N-(2-ethoxyethyl)-1-N,2-N-dimethyl-1-(4-methylphenyl)propane-1,2-diamine (PubChem CID 81058933) 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-(4-methylphenyl)propane-1,2-diamine.

Molecular Properties

Compound Name2-N-(2-ethoxyethyl)-1-N,2-N-dimethyl-1-(4-methylphenyl)propane-1,2-diamine
PubChem CID81058933
Molecular FormulaC16H28N2O
Molecular Weight264.41 g/mol
Exact Mass264.22
IUPAC Name2-N-(2-ethoxyethyl)-1-N,2-N-dimethyl-1-(4-methylphenyl)propane-1,2-diamine
SMILESCCOCCN(C)C(C)C(NC)c1ccc(C)cc1
InChIInChI=1S/C16H28N2O/c1-6-19-12-11-18(5)14(3)16(17-4)15-9-7-13(2)8-10-15/h7-10,14,16-17H,6,11-12H2,1-5H3
InChIKeyBLAAAYMMGKYYHQ-UHFFFAOYSA-N
XLogP2.61
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.41
LogP ≤ 52.61
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

1-N,2-N-dimethyl-1-(4-methylphenyl)-2-N-(2-propan-2-yloxyethyl)propane-1,2-diamine
CID 81056677
2-N-(2-ethoxyethyl)-1-N,2-N-dimethyl-1-phenylbutane-1,2-diamine
CID 81058735
1-(4-methoxyphenyl)-2-N-(3-methoxypropyl)-1-N,2-N-dimethylpropane-1,2-diamine
CID 62985686
2-N-(2-methoxyethyl)-2-N-methyl-1-(4-methylphenyl)propane-1,2-diamine
CID 61426974
N'-(2-ethoxyethyl)-N,N'-dimethyl-1-(4-propan-2-ylphenyl)ethane-1,2-diamine
CID 81058237
N'-(1-methoxypropan-2-yl)-N,N'-dimethyl-1-(4-methylphenyl)propane-1,3-diamine
CID 55099227
N'-(2-ethoxyethyl)-N,N'-diethyl-1-(4-methylphenyl)propane-1,3-diamine
CID 63692117
N-methyl-1-(4-methylphenyl)-2-(3,3,3-trifluoropropoxy)propan-1-amine
CID 82956623
1-(methylamino)-1-(4-methylphenyl)propan-2-ol
CID 116859377
1-(2,5-dimethylphenyl)-N'-(2-ethoxyethyl)-N,N'-dimethylethane-1,2-diamine
CID 81056552
3-ethoxy-1-(4-methylphenyl)propan-1-amine
CID 115601658
N-ethyl-2-methyl-1-(4-methylphenyl)butan-1-amine
CID 43489330

Frequently Asked Questions

What is the IUPAC name of 2-N-(2-ethoxyethyl)-1-N,2-N-dimethyl-1-(4-methylphenyl)propane-1,2-diamine?
The IUPAC name of 2-N-(2-ethoxyethyl)-1-N,2-N-dimethyl-1-(4-methylphenyl)propane-1,2-diamine (CID 81058933) is 2-N-(2-ethoxyethyl)-1-N,2-N-dimethyl-1-(4-methylphenyl)propane-1,2-diamine.
What is the SMILES notation for 2-N-(2-ethoxyethyl)-1-N,2-N-dimethyl-1-(4-methylphenyl)propane-1,2-diamine?
The canonical SMILES for 2-N-(2-ethoxyethyl)-1-N,2-N-dimethyl-1-(4-methylphenyl)propane-1,2-diamine is CCOCCN(C)C(C)C(NC)c1ccc(C)cc1.
What is the InChIKey of 2-N-(2-ethoxyethyl)-1-N,2-N-dimethyl-1-(4-methylphenyl)propane-1,2-diamine?
The InChIKey is BLAAAYMMGKYYHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O/c1-6-19-12-11-18(5)14(3)16(17-4)15-9-7-13(2)8-10-15/h7-10,14,16-17H,6,11-12H2,1-5H3.
What are the key properties of 2-N-(2-ethoxyethyl)-1-N,2-N-dimethyl-1-(4-methylphenyl)propane-1,2-diamine?
2-N-(2-ethoxyethyl)-1-N,2-N-dimethyl-1-(4-methylphenyl)propane-1,2-diamine has a molecular weight of 264.41 g/mol, XLogP of 2.61, 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)-1-N,2-N-dimethyl-1-(4-methylphenyl)propane-1,2-diamine is sourced from PubChem (CID 81058933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).