N-(4-ethoxybutyl)-N'-methyl-N'-(3-methylphenyl)ethane-1,2-diamine

C16H28N2O — CID 62554878

IUPACN-(4-ethoxybutyl)-N'-methyl-N'-(3-methylphenyl)ethane-1,2-diamine
SMILESCCOCCCCNCCN(C)c1cccc(C)c1
InChIInChI=1S/C16H28N2O/c1-4-19-13-6-5-10-17-11-12-18(3)16-9-7-8-15(2)14-16/h7-9,14,17H,4-6,10-13H2,1-3H3
InChIKeyQWHXLSJATHQFBK-UHFFFAOYSA-N
MW264.41 g/mol
LogP2.84
Rot. Bonds10

About N-(4-ethoxybutyl)-N'-methyl-N'-(3-methylphenyl)ethane-1,2-diamine

N-(4-ethoxybutyl)-N'-methyl-N'-(3-methylphenyl)ethane-1,2-diamine (PubChem CID 62554878) has the molecular formula C16H28N2O and a molecular weight of 264.41 g/mol. Its IUPAC name is N-(4-ethoxybutyl)-N'-methyl-N'-(3-methylphenyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN-(4-ethoxybutyl)-N'-methyl-N'-(3-methylphenyl)ethane-1,2-diamine
PubChem CID62554878
Molecular FormulaC16H28N2O
Molecular Weight264.41 g/mol
Exact Mass264.22
IUPAC NameN-(4-ethoxybutyl)-N'-methyl-N'-(3-methylphenyl)ethane-1,2-diamine
SMILESCCOCCCCNCCN(C)c1cccc(C)c1
InChIInChI=1S/C16H28N2O/c1-4-19-13-6-5-10-17-11-12-18(3)16-9-7-8-15(2)14-16/h7-9,14,17H,4-6,10-13H2,1-3H3
InChIKeyQWHXLSJATHQFBK-UHFFFAOYSA-N
XLogP2.84
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.41
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-(4-ethoxybutyl)-N'-methyl-N'-(3-methylphenyl)ethane-1,2-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-butoxyethyl)-N'-methyl-N'-(3-methylphenyl)ethane-1,2-diamine
CID 55090228
N-(cyclopentylmethyl)-N'-methyl-N'-(3-methylphenyl)ethane-1,2-diamine
CID 62554220
N'-methyl-N'-(3-methylphenyl)-N-prop-2-enylbutane-1,4-diamine
CID 23460287
N'-methyl-N'-(3-methylphenyl)-N-prop-2-ynylethane-1,2-diamine
CID 62555206
N'-ethyl-N-(3-methoxypropyl)-N'-(3-methylphenyl)ethane-1,2-diamine
CID 62561630
N-[2-(N-ethyl-3-methylanilino)ethyl]-N',N'-dimethylpropane-1,3-diamine
CID 62561635
N-cyclopropyl-N'-methyl-N'-(3-methylphenyl)pentane-1,5-diamine
CID 55072163
N-(3-ethoxypropyl)-N'-methyl-N'-[(4-methylphenyl)methyl]ethane-1,2-diamine
CID 62574333
N-[3-[ethoxy(dimethyl)silyl]propyl]-N,3-dimethylaniline
CID 174067279
N'-[(2-bromophenyl)methyl]-N-(4-ethoxybutyl)-N'-methylethane-1,2-diamine
CID 62558202
N-(2-iodoethyl)-N,3-dimethylaniline
CID 130693336
N-(4-ethoxybutyl)-N'-methyl-N'-(pyridin-2-ylmethyl)ethane-1,2-diamine
CID 62561727

Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxybutyl)-N'-methyl-N'-(3-methylphenyl)ethane-1,2-diamine?
The IUPAC name of N-(4-ethoxybutyl)-N'-methyl-N'-(3-methylphenyl)ethane-1,2-diamine (CID 62554878) is N-(4-ethoxybutyl)-N'-methyl-N'-(3-methylphenyl)ethane-1,2-diamine.
What is the SMILES notation for N-(4-ethoxybutyl)-N'-methyl-N'-(3-methylphenyl)ethane-1,2-diamine?
The canonical SMILES for N-(4-ethoxybutyl)-N'-methyl-N'-(3-methylphenyl)ethane-1,2-diamine is CCOCCCCNCCN(C)c1cccc(C)c1.
What is the InChIKey of N-(4-ethoxybutyl)-N'-methyl-N'-(3-methylphenyl)ethane-1,2-diamine?
The InChIKey is QWHXLSJATHQFBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O/c1-4-19-13-6-5-10-17-11-12-18(3)16-9-7-8-15(2)14-16/h7-9,14,17H,4-6,10-13H2,1-3H3.
What are the key properties of N-(4-ethoxybutyl)-N'-methyl-N'-(3-methylphenyl)ethane-1,2-diamine?
N-(4-ethoxybutyl)-N'-methyl-N'-(3-methylphenyl)ethane-1,2-diamine has a molecular weight of 264.41 g/mol, XLogP of 2.84, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethoxybutyl)-N'-methyl-N'-(3-methylphenyl)ethane-1,2-diamine is sourced from PubChem (CID 62554878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).