N'-(2-ethoxyethyl)-N-ethyl-N'-methyl-1-(3-methylphenyl)ethane-1,2-diamine

C16H28N2O — CID 81059330

IUPACN'-(2-ethoxyethyl)-N-ethyl-N'-methyl-1-(3-methylphenyl)ethane-1,2-diamine
SMILESCCNC(CN(C)CCOCC)c1cccc(C)c1
InChIInChI=1S/C16H28N2O/c1-5-17-16(13-18(4)10-11-19-6-2)15-9-7-8-14(3)12-15/h7-9,12,16-17H,5-6,10-11,13H2,1-4H3
InChIKeyHSECQBMRIXNNPX-UHFFFAOYSA-N
MW264.41 g/mol
LogP2.61
Rot. Bonds9

About N'-(2-ethoxyethyl)-N-ethyl-N'-methyl-1-(3-methylphenyl)ethane-1,2-diamine

N'-(2-ethoxyethyl)-N-ethyl-N'-methyl-1-(3-methylphenyl)ethane-1,2-diamine (PubChem CID 81059330) has the molecular formula C16H28N2O and a molecular weight of 264.41 g/mol. Its IUPAC name is N'-(2-ethoxyethyl)-N-ethyl-N'-methyl-1-(3-methylphenyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-(2-ethoxyethyl)-N-ethyl-N'-methyl-1-(3-methylphenyl)ethane-1,2-diamine
PubChem CID81059330
Molecular FormulaC16H28N2O
Molecular Weight264.41 g/mol
Exact Mass264.22
IUPAC NameN'-(2-ethoxyethyl)-N-ethyl-N'-methyl-1-(3-methylphenyl)ethane-1,2-diamine
SMILESCCNC(CN(C)CCOCC)c1cccc(C)c1
InChIInChI=1S/C16H28N2O/c1-5-17-16(13-18(4)10-11-19-6-2)15-9-7-8-14(3)12-15/h7-9,12,16-17H,5-6,10-11,13H2,1-4H3
InChIKeyHSECQBMRIXNNPX-UHFFFAOYSA-N
XLogP2.61
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 ≤ 52.61
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

N'-(2-ethoxyethyl)-N-ethyl-1-(2-methoxy-5-methylphenyl)-N'-methylethane-1,2-diamine
CID 81035993
N-ethyl-N'-methyl-1-(3-methylphenyl)-N'-propan-2-ylpropane-1,3-diamine
CID 55098067
N-ethyl-3-(3-methylbutoxy)-1-(3-methylphenyl)propan-1-amine
CID 55095072
1-(2,5-dimethylphenyl)-N'-(2-ethoxyethyl)-N,N'-dimethylethane-1,2-diamine
CID 81056552
1-(2,5-dimethylphenyl)-N'-(2-ethoxyethyl)-N'-methyl-N-propylethane-1,2-diamine
CID 81037022
N-ethyl-1-(3-methylphenyl)butan-1-amine
CID 60818713
N-(2-ethoxyethyl)-N-methyl-2-phenylbutan-1-amine
CID 71031505
3-(ethylamino)-3-(3-methylphenyl)propan-1-ol
CID 64812392
N,3-diethyl-1-(3-methylphenyl)pentan-1-amine
CID 82922212
3-ethoxy-N-[(1S)-1-(3-methylphenyl)ethyl]propan-1-amine
CID 81360459
N'-(2-ethoxyethyl)-N,N'-dimethyl-1-(4-propan-2-ylphenyl)ethane-1,2-diamine
CID 81058237
N-ethyl-1-(3-methylphenyl)-2-phenylsulfanylethanamine
CID 64619202

Frequently Asked Questions

What is the IUPAC name of N'-(2-ethoxyethyl)-N-ethyl-N'-methyl-1-(3-methylphenyl)ethane-1,2-diamine?
The IUPAC name of N'-(2-ethoxyethyl)-N-ethyl-N'-methyl-1-(3-methylphenyl)ethane-1,2-diamine (CID 81059330) is N'-(2-ethoxyethyl)-N-ethyl-N'-methyl-1-(3-methylphenyl)ethane-1,2-diamine.
What is the SMILES notation for N'-(2-ethoxyethyl)-N-ethyl-N'-methyl-1-(3-methylphenyl)ethane-1,2-diamine?
The canonical SMILES for N'-(2-ethoxyethyl)-N-ethyl-N'-methyl-1-(3-methylphenyl)ethane-1,2-diamine is CCNC(CN(C)CCOCC)c1cccc(C)c1.
What is the InChIKey of N'-(2-ethoxyethyl)-N-ethyl-N'-methyl-1-(3-methylphenyl)ethane-1,2-diamine?
The InChIKey is HSECQBMRIXNNPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O/c1-5-17-16(13-18(4)10-11-19-6-2)15-9-7-8-14(3)12-15/h7-9,12,16-17H,5-6,10-11,13H2,1-4H3.
What are the key properties of N'-(2-ethoxyethyl)-N-ethyl-N'-methyl-1-(3-methylphenyl)ethane-1,2-diamine?
N'-(2-ethoxyethyl)-N-ethyl-N'-methyl-1-(3-methylphenyl)ethane-1,2-diamine has a molecular weight of 264.41 g/mol, XLogP of 2.61, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-ethoxyethyl)-N-ethyl-N'-methyl-1-(3-methylphenyl)ethane-1,2-diamine is sourced from PubChem (CID 81059330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).