N-(3-ethoxypropyl)-N'-[(3-methoxyphenyl)methyl]-N'-methylethane-1,2-diamine

C16H28N2O2 — CID 62556922

IUPACN-(3-ethoxypropyl)-N'-[(3-methoxyphenyl)methyl]-N'-methylethane-1,2-diamine
SMILESCCOCCCNCCN(C)Cc1cccc(OC)c1
InChIInChI=1S/C16H28N2O2/c1-4-20-12-6-9-17-10-11-18(2)14-15-7-5-8-16(13-15)19-3/h5,7-8,13,17H,4,6,9-12,14H2,1-3H3
InChIKeyZMHGKVCYCQWHDR-UHFFFAOYSA-N
MW280.41 g/mol
LogP2.14
Rot. Bonds11

About N-(3-ethoxypropyl)-N'-[(3-methoxyphenyl)methyl]-N'-methylethane-1,2-diamine

N-(3-ethoxypropyl)-N'-[(3-methoxyphenyl)methyl]-N'-methylethane-1,2-diamine (PubChem CID 62556922) has the molecular formula C16H28N2O2 and a molecular weight of 280.41 g/mol. Its IUPAC name is N-(3-ethoxypropyl)-N'-[(3-methoxyphenyl)methyl]-N'-methylethane-1,2-diamine.

Molecular Properties

Compound NameN-(3-ethoxypropyl)-N'-[(3-methoxyphenyl)methyl]-N'-methylethane-1,2-diamine
PubChem CID62556922
Molecular FormulaC16H28N2O2
Molecular Weight280.41 g/mol
Exact Mass280.22
IUPAC NameN-(3-ethoxypropyl)-N'-[(3-methoxyphenyl)methyl]-N'-methylethane-1,2-diamine
SMILESCCOCCCNCCN(C)Cc1cccc(OC)c1
InChIInChI=1S/C16H28N2O2/c1-4-20-12-6-9-17-10-11-18(2)14-15-7-5-8-16(13-15)19-3/h5,7-8,13,17H,4,6,9-12,14H2,1-3H3
InChIKeyZMHGKVCYCQWHDR-UHFFFAOYSA-N
XLogP2.14
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.41
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-(3-ethoxypropyl)-N'-[(3-methoxyphenyl)methyl]-N'-methylethane-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-(3-ethoxypropyl)-N'-methyl-N'-(pyridin-3-ylmethyl)ethane-1,2-diamine
CID 62560243
N-(3-ethoxypropyl)-N'-methyl-N'-[(4-methylphenyl)methyl]ethane-1,2-diamine
CID 62574333
N-(cyclohexylmethyl)-N'-[(3-methoxyphenyl)methyl]-N'-methylethane-1,2-diamine
CID 62558136
N'-[(3-methoxyphenyl)methyl]-N'-methyl-N-(2-methylpropyl)butane-1,4-diamine
CID 62412294
3-chloro-N-[(3-methoxyphenyl)methyl]-N-methylpropan-1-amine
CID 61417614
N-(dicyclopropylmethyl)-N'-[(3-methoxyphenyl)methyl]-N'-methylethane-1,2-diamine
CID 62558489
6-[(3-methoxyphenyl)methyl-methylamino]hexan-1-ol
CID 103737738
N-[[3-[[2-ethoxyethyl(methyl)amino]methyl]phenyl]methyl]propan-1-amine
CID 81067727
4-[(3-methoxyphenyl)methyl-methylamino]butan-2-one
CID 60648128
2-ethoxy-N-[[3-(ethylaminomethyl)phenyl]methyl]-N-methylethanamine
CID 81068359
4-[(3-methoxyphenyl)methyl-methylamino]butanenitrile
CID 60690539
N'-[(2-bromophenyl)methyl]-N-(4-ethoxybutyl)-N'-methylethane-1,2-diamine
CID 62558202

Frequently Asked Questions

What is the IUPAC name of N-(3-ethoxypropyl)-N'-[(3-methoxyphenyl)methyl]-N'-methylethane-1,2-diamine?
The IUPAC name of N-(3-ethoxypropyl)-N'-[(3-methoxyphenyl)methyl]-N'-methylethane-1,2-diamine (CID 62556922) is N-(3-ethoxypropyl)-N'-[(3-methoxyphenyl)methyl]-N'-methylethane-1,2-diamine.
What is the SMILES notation for N-(3-ethoxypropyl)-N'-[(3-methoxyphenyl)methyl]-N'-methylethane-1,2-diamine?
The canonical SMILES for N-(3-ethoxypropyl)-N'-[(3-methoxyphenyl)methyl]-N'-methylethane-1,2-diamine is CCOCCCNCCN(C)Cc1cccc(OC)c1.
What is the InChIKey of N-(3-ethoxypropyl)-N'-[(3-methoxyphenyl)methyl]-N'-methylethane-1,2-diamine?
The InChIKey is ZMHGKVCYCQWHDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O2/c1-4-20-12-6-9-17-10-11-18(2)14-15-7-5-8-16(13-15)19-3/h5,7-8,13,17H,4,6,9-12,14H2,1-3H3.
What are the key properties of N-(3-ethoxypropyl)-N'-[(3-methoxyphenyl)methyl]-N'-methylethane-1,2-diamine?
N-(3-ethoxypropyl)-N'-[(3-methoxyphenyl)methyl]-N'-methylethane-1,2-diamine has a molecular weight of 280.41 g/mol, XLogP of 2.14, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethoxypropyl)-N'-[(3-methoxyphenyl)methyl]-N'-methylethane-1,2-diamine is sourced from PubChem (CID 62556922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).