N-ethyl-1-(2-methoxyphenyl)-N'-(3-methoxypropyl)-N'-methylethane-1,2-diamine

C16H28N2O2 — CID 62985012

IUPACN-ethyl-1-(2-methoxyphenyl)-N'-(3-methoxypropyl)-N'-methylethane-1,2-diamine
SMILESCCNC(CN(C)CCCOC)c1ccccc1OC
InChIInChI=1S/C16H28N2O2/c1-5-17-15(13-18(2)11-8-12-19-3)14-9-6-7-10-16(14)20-4/h6-7,9-10,15,17H,5,8,11-13H2,1-4H3
InChIKeySHRDIPIXCRCNOI-UHFFFAOYSA-N
MW280.41 g/mol
LogP2.31
Rot. Bonds10

About N-ethyl-1-(2-methoxyphenyl)-N'-(3-methoxypropyl)-N'-methylethane-1,2-diamine

N-ethyl-1-(2-methoxyphenyl)-N'-(3-methoxypropyl)-N'-methylethane-1,2-diamine (PubChem CID 62985012) has the molecular formula C16H28N2O2 and a molecular weight of 280.41 g/mol. Its IUPAC name is N-ethyl-1-(2-methoxyphenyl)-N'-(3-methoxypropyl)-N'-methylethane-1,2-diamine.

Molecular Properties

Compound NameN-ethyl-1-(2-methoxyphenyl)-N'-(3-methoxypropyl)-N'-methylethane-1,2-diamine
PubChem CID62985012
Molecular FormulaC16H28N2O2
Molecular Weight280.41 g/mol
Exact Mass280.22
IUPAC NameN-ethyl-1-(2-methoxyphenyl)-N'-(3-methoxypropyl)-N'-methylethane-1,2-diamine
SMILESCCNC(CN(C)CCCOC)c1ccccc1OC
InChIInChI=1S/C16H28N2O2/c1-5-17-15(13-18(2)11-8-12-19-3)14-9-6-7-10-16(14)20-4/h6-7,9-10,15,17H,5,8,11-13H2,1-4H3
InChIKeySHRDIPIXCRCNOI-UHFFFAOYSA-N
XLogP2.31
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.41
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-1-(2-methoxy-5-methylphenyl)-N'-(3-methoxypropyl)-N'-methylethane-1,2-diamine
CID 62983603
N-ethyl-N'-(3-methoxypropyl)-N'-methyl-1-(2-methylphenyl)propane-1,3-diamine
CID 63009908
1-(2-bromophenyl)-N-ethyl-N'-(3-methoxypropyl)-N'-methylpropane-1,3-diamine
CID 63009011
1-(1-benzofuran-2-yl)-N-ethyl-N'-(3-methoxypropyl)-N'-methylethane-1,2-diamine
CID 62983956
N'-[2-(ethylamino)-2-(2-methylphenyl)ethyl]-N,N,N'-trimethylpropane-1,3-diamine
CID 63693986
N-ethyl-1-(2-methoxyphenyl)ethane-1,2-diamine
CID 62066193
N-ethyl-1-[2-(3-methoxypropoxy)phenyl]propan-1-amine
CID 54935500
N-ethyl-1-(2-methoxyphenyl)-2-(3-methoxypropylsulfonyl)ethanamine
CID 64675860
N-ethyl-4-methoxy-1-[2-(2-methoxyethoxy)phenyl]butan-1-amine
CID 104660193
N'-(2-ethoxyethyl)-N-ethyl-1-(2-methoxy-5-methylphenyl)-N'-methylethane-1,2-diamine
CID 81035993
N,N',N'-triethyl-1-(2-methoxyphenyl)propane-1,3-diamine
CID 79087347
N'-[2-(dimethylamino)ethyl]-N-ethyl-1-(2-methoxy-5-methylphenyl)-N'-methylethane-1,2-diamine
CID 63694845

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(2-methoxyphenyl)-N'-(3-methoxypropyl)-N'-methylethane-1,2-diamine?
The IUPAC name of N-ethyl-1-(2-methoxyphenyl)-N'-(3-methoxypropyl)-N'-methylethane-1,2-diamine (CID 62985012) is N-ethyl-1-(2-methoxyphenyl)-N'-(3-methoxypropyl)-N'-methylethane-1,2-diamine.
What is the SMILES notation for N-ethyl-1-(2-methoxyphenyl)-N'-(3-methoxypropyl)-N'-methylethane-1,2-diamine?
The canonical SMILES for N-ethyl-1-(2-methoxyphenyl)-N'-(3-methoxypropyl)-N'-methylethane-1,2-diamine is CCNC(CN(C)CCCOC)c1ccccc1OC.
What is the InChIKey of N-ethyl-1-(2-methoxyphenyl)-N'-(3-methoxypropyl)-N'-methylethane-1,2-diamine?
The InChIKey is SHRDIPIXCRCNOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O2/c1-5-17-15(13-18(2)11-8-12-19-3)14-9-6-7-10-16(14)20-4/h6-7,9-10,15,17H,5,8,11-13H2,1-4H3.
What are the key properties of N-ethyl-1-(2-methoxyphenyl)-N'-(3-methoxypropyl)-N'-methylethane-1,2-diamine?
N-ethyl-1-(2-methoxyphenyl)-N'-(3-methoxypropyl)-N'-methylethane-1,2-diamine has a molecular weight of 280.41 g/mol, XLogP of 2.31, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(2-methoxyphenyl)-N'-(3-methoxypropyl)-N'-methylethane-1,2-diamine is sourced from PubChem (CID 62985012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).