1-(3,4-dimethoxyphenyl)-N'-[2-(dimethylamino)ethyl]-N,N'-dimethylethane-1,2-diamine

C16H29N3O2 — CID 63693627

IUPAC1-(3,4-dimethoxyphenyl)-N'-[2-(dimethylamino)ethyl]-N,N'-dimethylethane-1,2-diamine
SMILESCNC(CN(C)CCN(C)C)c1ccc(OC)c(OC)c1
InChIInChI=1S/C16H29N3O2/c1-17-14(12-19(4)10-9-18(2)3)13-7-8-15(20-5)16(11-13)21-6/h7-8,11,14,17H,9-10,12H2,1-6H3
InChIKeyPWUCGKIHDQVIAF-UHFFFAOYSA-N
MW295.43 g/mol
LogP1.46
Rot. Bonds9

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

1-(3,4-dimethoxyphenyl)-N'-[2-(dimethylamino)ethyl]-N,N'-dimethylethane-1,2-diamine (PubChem CID 63693627) has the molecular formula C16H29N3O2 and a molecular weight of 295.43 g/mol. Its IUPAC name is 1-(3,4-dimethoxyphenyl)-N'-[2-(dimethylamino)ethyl]-N,N'-dimethylethane-1,2-diamine.

Molecular Properties

Compound Name1-(3,4-dimethoxyphenyl)-N'-[2-(dimethylamino)ethyl]-N,N'-dimethylethane-1,2-diamine
PubChem CID63693627
Molecular FormulaC16H29N3O2
Molecular Weight295.43 g/mol
Exact Mass295.23
IUPAC Name1-(3,4-dimethoxyphenyl)-N'-[2-(dimethylamino)ethyl]-N,N'-dimethylethane-1,2-diamine
SMILESCNC(CN(C)CCN(C)C)c1ccc(OC)c(OC)c1
InChIInChI=1S/C16H29N3O2/c1-17-14(12-19(4)10-9-18(2)3)13-7-8-15(20-5)16(11-13)21-6/h7-8,11,14,17H,9-10,12H2,1-6H3
InChIKeyPWUCGKIHDQVIAF-UHFFFAOYSA-N
XLogP1.46
TPSA36.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.43
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3,4-dimethoxyphenyl)-2-[2-(dimethylamino)ethyl-methylamino]ethanol
CID 63699776
1-(3,4-dimethoxyphenyl)-N,N'-dimethyl-N'-[(2-methylcyclopropyl)methyl]ethane-1,2-diamine
CID 63878903
N-[1-(3,4-dimethoxyphenyl)propyl]-N'-ethyl-N'-methylethane-1,2-diamine
CID 62634495
1-(3,4-dimethoxyphenyl)-N-methylbutan-1-amine
CID 43481153
2-chloro-2-(3,4-dimethoxyphenyl)-N,N-dimethylethanamine
CID 82214956
1-(3,4-dimethylphenyl)-N'-(3-methoxypropyl)-N,N'-dimethylethane-1,2-diamine
CID 55139909
1-(3,4-dimethoxyphenyl)-N-methyl-3-methylsulfanylpropan-1-amine
CID 105141261
1-(3,4-dimethoxyphenyl)-N-methylbutane-1,4-diamine
CID 116949261
N-[2-chloro-2-(3,4-dimethoxyphenyl)ethyl]-N-methylbutan-1-amine
CID 82214957
N-[1-(3,4-dimethoxyphenyl)propyl]-N'-methyl-N'-propan-2-ylethane-1,2-diamine
CID 62636259
1-(3,4-dimethoxyphenyl)-N-ethylpropan-1-amine
CID 43200497
2-methoxy-5-[1-(methylamino)propyl]phenol
CID 83830986

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethoxyphenyl)-N'-[2-(dimethylamino)ethyl]-N,N'-dimethylethane-1,2-diamine?
The IUPAC name of 1-(3,4-dimethoxyphenyl)-N'-[2-(dimethylamino)ethyl]-N,N'-dimethylethane-1,2-diamine (CID 63693627) is 1-(3,4-dimethoxyphenyl)-N'-[2-(dimethylamino)ethyl]-N,N'-dimethylethane-1,2-diamine.
What is the SMILES notation for 1-(3,4-dimethoxyphenyl)-N'-[2-(dimethylamino)ethyl]-N,N'-dimethylethane-1,2-diamine?
The canonical SMILES for 1-(3,4-dimethoxyphenyl)-N'-[2-(dimethylamino)ethyl]-N,N'-dimethylethane-1,2-diamine is CNC(CN(C)CCN(C)C)c1ccc(OC)c(OC)c1.
What is the InChIKey of 1-(3,4-dimethoxyphenyl)-N'-[2-(dimethylamino)ethyl]-N,N'-dimethylethane-1,2-diamine?
The InChIKey is PWUCGKIHDQVIAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3O2/c1-17-14(12-19(4)10-9-18(2)3)13-7-8-15(20-5)16(11-13)21-6/h7-8,11,14,17H,9-10,12H2,1-6H3.
What are the key properties of 1-(3,4-dimethoxyphenyl)-N'-[2-(dimethylamino)ethyl]-N,N'-dimethylethane-1,2-diamine?
1-(3,4-dimethoxyphenyl)-N'-[2-(dimethylamino)ethyl]-N,N'-dimethylethane-1,2-diamine has a molecular weight of 295.43 g/mol, XLogP of 1.46, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethoxyphenyl)-N'-[2-(dimethylamino)ethyl]-N,N'-dimethylethane-1,2-diamine is sourced from PubChem (CID 63693627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).