N-[1-(3,4-dimethoxyphenyl)propyl]-N'-ethyl-N'-methylethane-1,2-diamine

C16H28N2O2 — CID 62634495

IUPACN-[1-(3,4-dimethoxyphenyl)propyl]-N'-ethyl-N'-methylethane-1,2-diamine
SMILESCCC(NCCN(C)CC)c1ccc(OC)c(OC)c1
InChIInChI=1S/C16H28N2O2/c1-6-14(17-10-11-18(3)7-2)13-8-9-15(19-4)16(12-13)20-5/h8-9,12,14,17H,6-7,10-11H2,1-5H3
InChIKeyPLNIUUUPEPLVGR-UHFFFAOYSA-N
MW280.41 g/mol
LogP2.70
Rot. Bonds9

About N-[1-(3,4-dimethoxyphenyl)propyl]-N'-ethyl-N'-methylethane-1,2-diamine

N-[1-(3,4-dimethoxyphenyl)propyl]-N'-ethyl-N'-methylethane-1,2-diamine (PubChem CID 62634495) has the molecular formula C16H28N2O2 and a molecular weight of 280.41 g/mol. Its IUPAC name is N-[1-(3,4-dimethoxyphenyl)propyl]-N'-ethyl-N'-methylethane-1,2-diamine.

Molecular Properties

Compound NameN-[1-(3,4-dimethoxyphenyl)propyl]-N'-ethyl-N'-methylethane-1,2-diamine
PubChem CID62634495
Molecular FormulaC16H28N2O2
Molecular Weight280.41 g/mol
Exact Mass280.22
IUPAC NameN-[1-(3,4-dimethoxyphenyl)propyl]-N'-ethyl-N'-methylethane-1,2-diamine
SMILESCCC(NCCN(C)CC)c1ccc(OC)c(OC)c1
InChIInChI=1S/C16H28N2O2/c1-6-14(17-10-11-18(3)7-2)13-8-9-15(19-4)16(12-13)20-5/h8-9,12,14,17H,6-7,10-11H2,1-5H3
InChIKeyPLNIUUUPEPLVGR-UHFFFAOYSA-N
XLogP2.70
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.41
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(3,4-dimethoxyphenyl)propyl]-N'-methyl-N'-propan-2-ylethane-1,2-diamine
CID 62636259
1-(3,4-dimethoxyphenyl)-N-(2-methoxyethyl)propan-1-amine
CID 43200660
1-(3,4-dimethoxyphenyl)-N-ethylpropan-1-amine
CID 43200497
4-[1-(3,4-dimethoxyphenyl)propylamino]butan-2-ol
CID 64912152
3-[1-(3,4-dimethoxyphenyl)propylamino]propanenitrile
CID 43207726
1-(3,4-dimethoxyphenyl)-N-prop-2-enylpropan-1-amine
CID 43200540
N'-ethyl-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-N'-methylethane-1,2-diamine
CID 62635886
1-(3,4-dimethoxyphenyl)-N-[2-(trifluoromethylsulfanyl)ethyl]propan-1-amine
CID 103778096
1-(3,4-dimethoxyphenyl)-N-[(3,4-dimethoxyphenyl)methyl]propan-1-amine
CID 57046449
1-(3,4-dimethoxyphenyl)-N-(2-methoxypropyl)propan-1-amine
CID 102696299
1-(3,4-dimethoxyphenyl)-N-propylbutan-1-amine
CID 43494599
1-(4-methoxy-3-methylphenyl)-N-propylpropan-1-amine
CID 43498177

Frequently Asked Questions

What is the IUPAC name of N-[1-(3,4-dimethoxyphenyl)propyl]-N'-ethyl-N'-methylethane-1,2-diamine?
The IUPAC name of N-[1-(3,4-dimethoxyphenyl)propyl]-N'-ethyl-N'-methylethane-1,2-diamine (CID 62634495) is N-[1-(3,4-dimethoxyphenyl)propyl]-N'-ethyl-N'-methylethane-1,2-diamine.
What is the SMILES notation for N-[1-(3,4-dimethoxyphenyl)propyl]-N'-ethyl-N'-methylethane-1,2-diamine?
The canonical SMILES for N-[1-(3,4-dimethoxyphenyl)propyl]-N'-ethyl-N'-methylethane-1,2-diamine is CCC(NCCN(C)CC)c1ccc(OC)c(OC)c1.
What is the InChIKey of N-[1-(3,4-dimethoxyphenyl)propyl]-N'-ethyl-N'-methylethane-1,2-diamine?
The InChIKey is PLNIUUUPEPLVGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O2/c1-6-14(17-10-11-18(3)7-2)13-8-9-15(19-4)16(12-13)20-5/h8-9,12,14,17H,6-7,10-11H2,1-5H3.
What are the key properties of N-[1-(3,4-dimethoxyphenyl)propyl]-N'-ethyl-N'-methylethane-1,2-diamine?
N-[1-(3,4-dimethoxyphenyl)propyl]-N'-ethyl-N'-methylethane-1,2-diamine has a molecular weight of 280.41 g/mol, XLogP of 2.70, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,4-dimethoxyphenyl)propyl]-N'-ethyl-N'-methylethane-1,2-diamine is sourced from PubChem (CID 62634495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).