N-[(4-ethylphenyl)methyl]-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine

C15H26N2O — CID 62844461

IUPACN-[(4-ethylphenyl)methyl]-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine
SMILESCCc1ccc(CNCCN(C)CCOC)cc1
InChIInChI=1S/C15H26N2O/c1-4-14-5-7-15(8-6-14)13-16-9-10-17(2)11-12-18-3/h5-8,16H,4,9-13H2,1-3H3
InChIKeyCPJAJRIBKKNLOJ-UHFFFAOYSA-N
MW250.39 g/mol
LogP1.92
Rot. Bonds9

About N-[(4-ethylphenyl)methyl]-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine

N-[(4-ethylphenyl)methyl]-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine (PubChem CID 62844461) has the molecular formula C15H26N2O and a molecular weight of 250.39 g/mol. Its IUPAC name is N-[(4-ethylphenyl)methyl]-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine.

Molecular Properties

Compound NameN-[(4-ethylphenyl)methyl]-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine
PubChem CID62844461
Molecular FormulaC15H26N2O
Molecular Weight250.39 g/mol
Exact Mass250.20
IUPAC NameN-[(4-ethylphenyl)methyl]-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine
SMILESCCc1ccc(CNCCN(C)CCOC)cc1
InChIInChI=1S/C15H26N2O/c1-4-14-5-7-15(8-6-14)13-16-9-10-17(2)11-12-18-3/h5-8,16H,4,9-13H2,1-3H3
InChIKeyCPJAJRIBKKNLOJ-UHFFFAOYSA-N
XLogP1.92
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 51.92
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-[(4-iodophenyl)methyl]-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine
CID 65479419
N-[(4-butoxyphenyl)methyl]-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine
CID 62843608
N'-(2-methoxyethyl)-N'-methyl-N-[(4-propan-2-ylphenyl)methyl]ethane-1,2-diamine
CID 62843413
N-[(4-ethylphenyl)methyl]-N',N'-dimethylethane-1,2-diamine
CID 3576210
N'-(2-methoxyethyl)-N'-methyl-N-[(3-methylphenyl)methyl]ethane-1,2-diamine
CID 62844290
N-[1-(4-ethylphenyl)ethyl]-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine
CID 55126526
N-[(4-bromo-3-chlorophenyl)methyl]-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine
CID 103581662
N-[[4-[[2-methoxyethyl(methyl)amino]methyl]phenyl]methyl]-2-methylpropan-1-amine
CID 62448969
3-[[2-[2-methoxyethyl(methyl)amino]ethylamino]methyl]benzonitrile
CID 62843600
N'-(2-methoxyethyl)-N-[(4-methoxy-3-nitrophenyl)methyl]-N'-methylethane-1,2-diamine
CID 62843985
N'-(2-methoxyethyl)-N'-methyl-N-[(3-propan-2-yloxyphenyl)methyl]ethane-1,2-diamine
CID 62845370
N-[(2-ethoxyphenyl)methyl]-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine
CID 62844288

Frequently Asked Questions

What is the IUPAC name of N-[(4-ethylphenyl)methyl]-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine?
The IUPAC name of N-[(4-ethylphenyl)methyl]-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine (CID 62844461) is N-[(4-ethylphenyl)methyl]-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine.
What is the SMILES notation for N-[(4-ethylphenyl)methyl]-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine?
The canonical SMILES for N-[(4-ethylphenyl)methyl]-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine is CCc1ccc(CNCCN(C)CCOC)cc1.
What is the InChIKey of N-[(4-ethylphenyl)methyl]-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine?
The InChIKey is CPJAJRIBKKNLOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O/c1-4-14-5-7-15(8-6-14)13-16-9-10-17(2)11-12-18-3/h5-8,16H,4,9-13H2,1-3H3.
What are the key properties of N-[(4-ethylphenyl)methyl]-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine?
N-[(4-ethylphenyl)methyl]-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine has a molecular weight of 250.39 g/mol, XLogP of 1.92, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethylphenyl)methyl]-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine is sourced from PubChem (CID 62844461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).