N'-(2-methoxyethyl)-N'-(3-methoxypropyl)-N-(3-methylphenyl)ethane-1,2-diamine

C16H28N2O2 — CID 62555115

IUPACN'-(2-methoxyethyl)-N'-(3-methoxypropyl)-N-(3-methylphenyl)ethane-1,2-diamine
SMILESCOCCCN(CCNc1cccc(C)c1)CCOC
InChIInChI=1S/C16H28N2O2/c1-15-6-4-7-16(14-15)17-8-10-18(11-13-20-3)9-5-12-19-2/h4,6-7,14,17H,5,8-13H2,1-3H3
InChIKeyFRMSYUPTFAKDHD-UHFFFAOYSA-N
MW280.41 g/mol
LogP2.39
Rot. Bonds11

About N'-(2-methoxyethyl)-N'-(3-methoxypropyl)-N-(3-methylphenyl)ethane-1,2-diamine

N'-(2-methoxyethyl)-N'-(3-methoxypropyl)-N-(3-methylphenyl)ethane-1,2-diamine (PubChem CID 62555115) has the molecular formula C16H28N2O2 and a molecular weight of 280.41 g/mol. Its IUPAC name is N'-(2-methoxyethyl)-N'-(3-methoxypropyl)-N-(3-methylphenyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-(2-methoxyethyl)-N'-(3-methoxypropyl)-N-(3-methylphenyl)ethane-1,2-diamine
PubChem CID62555115
Molecular FormulaC16H28N2O2
Molecular Weight280.41 g/mol
Exact Mass280.22
IUPAC NameN'-(2-methoxyethyl)-N'-(3-methoxypropyl)-N-(3-methylphenyl)ethane-1,2-diamine
SMILESCOCCCN(CCNc1cccc(C)c1)CCOC
InChIInChI=1S/C16H28N2O2/c1-15-6-4-7-16(14-15)17-8-10-18(11-13-20-3)9-5-12-19-2/h4,6-7,14,17H,5,8-13H2,1-3H3
InChIKeyFRMSYUPTFAKDHD-UHFFFAOYSA-N
XLogP2.39
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 ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N'-(2-methoxyethyl)-N'-(3-methoxypropyl)-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-(3-fluorophenyl)-N',N'-bis(2-methoxyethyl)ethane-1,2-diamine
CID 55089867
N-[2-(3-methoxypropylsulfanyl)ethyl]-3-methylaniline
CID 63856350
N'-ethyl-N,N-dimethyl-N'-[2-(3-methylanilino)ethyl]propane-1,3-diamine
CID 102997765
N-(3-bromophenyl)-N'-(2-methoxyethyl)-N'-(2-methylpropyl)ethane-1,2-diamine
CID 62556159
N'-ethyl-N-(3-methylphenyl)-N'-propylethane-1,2-diamine
CID 62575820
N',N'-bis(2-methoxyethyl)-N-pyridin-3-ylethane-1,2-diamine
CID 67897474
N'-butan-2-yl-N'-ethyl-N-(3-methylphenyl)ethane-1,2-diamine
CID 62561849
N-(2-methoxyethyl)-3-(3-methylanilino)propanamide
CID 109015044
N'-(3,5-dimethylphenyl)-N'-methyl-N-(3-methylphenyl)ethane-1,2-diamine
CID 63501684
N-[2-[3-(3-methylanilino)propylamino]ethyl]-N'-(3-methylphenyl)propane-1,3-diamine
CID 56650104
N'-methyl-N-(3-methylphenyl)-N'-(2-methylsulfanylethyl)ethane-1,2-diamine
CID 112666020
N-[2-(2-ethoxyethoxy)ethyl]-3-methylaniline
CID 23009144

Frequently Asked Questions

What is the IUPAC name of N'-(2-methoxyethyl)-N'-(3-methoxypropyl)-N-(3-methylphenyl)ethane-1,2-diamine?
The IUPAC name of N'-(2-methoxyethyl)-N'-(3-methoxypropyl)-N-(3-methylphenyl)ethane-1,2-diamine (CID 62555115) is N'-(2-methoxyethyl)-N'-(3-methoxypropyl)-N-(3-methylphenyl)ethane-1,2-diamine.
What is the SMILES notation for N'-(2-methoxyethyl)-N'-(3-methoxypropyl)-N-(3-methylphenyl)ethane-1,2-diamine?
The canonical SMILES for N'-(2-methoxyethyl)-N'-(3-methoxypropyl)-N-(3-methylphenyl)ethane-1,2-diamine is COCCCN(CCNc1cccc(C)c1)CCOC.
What is the InChIKey of N'-(2-methoxyethyl)-N'-(3-methoxypropyl)-N-(3-methylphenyl)ethane-1,2-diamine?
The InChIKey is FRMSYUPTFAKDHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O2/c1-15-6-4-7-16(14-15)17-8-10-18(11-13-20-3)9-5-12-19-2/h4,6-7,14,17H,5,8-13H2,1-3H3.
What are the key properties of N'-(2-methoxyethyl)-N'-(3-methoxypropyl)-N-(3-methylphenyl)ethane-1,2-diamine?
N'-(2-methoxyethyl)-N'-(3-methoxypropyl)-N-(3-methylphenyl)ethane-1,2-diamine has a molecular weight of 280.41 g/mol, XLogP of 2.39, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-methoxyethyl)-N'-(3-methoxypropyl)-N-(3-methylphenyl)ethane-1,2-diamine is sourced from PubChem (CID 62555115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).