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

C13H22N2O — CID 43177837

IUPACN'-ethyl-1-(3-methoxyphenyl)-N,N-dimethylethane-1,2-diamine
SMILESCCNCC(c1cccc(OC)c1)N(C)C
InChIInChI=1S/C13H22N2O/c1-5-14-10-13(15(2)3)11-7-6-8-12(9-11)16-4/h6-9,13-14H,5,10H2,1-4H3
InChIKeyLVRBXDHJXKPDKP-UHFFFAOYSA-N
MW222.33 g/mol
LogP1.91
Rot. Bonds6

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

N'-ethyl-1-(3-methoxyphenyl)-N,N-dimethylethane-1,2-diamine (PubChem CID 43177837) has the molecular formula C13H22N2O and a molecular weight of 222.33 g/mol. Its IUPAC name is N'-ethyl-1-(3-methoxyphenyl)-N,N-dimethylethane-1,2-diamine.

Molecular Properties

Compound NameN'-ethyl-1-(3-methoxyphenyl)-N,N-dimethylethane-1,2-diamine
PubChem CID43177837
Molecular FormulaC13H22N2O
Molecular Weight222.33 g/mol
Exact Mass222.17
IUPAC NameN'-ethyl-1-(3-methoxyphenyl)-N,N-dimethylethane-1,2-diamine
SMILESCCNCC(c1cccc(OC)c1)N(C)C
InChIInChI=1S/C13H22N2O/c1-5-14-10-13(15(2)3)11-7-6-8-12(9-11)16-4/h6-9,13-14H,5,10H2,1-4H3
InChIKeyLVRBXDHJXKPDKP-UHFFFAOYSA-N
XLogP1.91
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N'-(2,2-dimethoxyethyl)-1-(3-methoxyphenyl)-N,N-dimethylethane-1,2-diamine
CID 63686447
N'-(3-fluoropropyl)-1-(3-methoxyphenyl)-N,N-dimethylethane-1,2-diamine
CID 81106317
1-(3-methoxyphenyl)-N,N-dimethyl-N'-(2-pyrazol-1-ylethyl)ethane-1,2-diamine
CID 61491656
N'-but-3-ynyl-1-(3-methoxyphenyl)-N,N-dimethylethane-1,2-diamine
CID 55210968
N'-[(E)-3-chloroprop-2-enyl]-1-(3-methoxyphenyl)-N,N-dimethylethane-1,2-diamine
CID 107899641
N'-(cyclobutylmethyl)-1-(3-methoxyphenyl)-N,N-dimethylethane-1,2-diamine
CID 65458499
1-(3-methoxyphenyl)-N,N-dimethyl-N'-(3-methylbut-2-enyl)ethane-1,2-diamine
CID 103605370
4-[[[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]amino]methyl]phenol
CID 43823560
methyl 3-[[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]amino]-2-methylpropanoate
CID 43398367
1-(3-methoxyphenyl)-N,N-dimethyl-N'-[(2-methylphenyl)methyl]ethane-1,2-diamine
CID 43823561
methyl 3-[[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]amino]propanoate
CID 43093101
2-[[(2R)-2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]amino]-N-propan-2-ylacetamide
CID 28596145

Frequently Asked Questions

What is the IUPAC name of N'-ethyl-1-(3-methoxyphenyl)-N,N-dimethylethane-1,2-diamine?
The IUPAC name of N'-ethyl-1-(3-methoxyphenyl)-N,N-dimethylethane-1,2-diamine (CID 43177837) is N'-ethyl-1-(3-methoxyphenyl)-N,N-dimethylethane-1,2-diamine.
What is the SMILES notation for N'-ethyl-1-(3-methoxyphenyl)-N,N-dimethylethane-1,2-diamine?
The canonical SMILES for N'-ethyl-1-(3-methoxyphenyl)-N,N-dimethylethane-1,2-diamine is CCNCC(c1cccc(OC)c1)N(C)C.
What is the InChIKey of N'-ethyl-1-(3-methoxyphenyl)-N,N-dimethylethane-1,2-diamine?
The InChIKey is LVRBXDHJXKPDKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O/c1-5-14-10-13(15(2)3)11-7-6-8-12(9-11)16-4/h6-9,13-14H,5,10H2,1-4H3.
What are the key properties of N'-ethyl-1-(3-methoxyphenyl)-N,N-dimethylethane-1,2-diamine?
N'-ethyl-1-(3-methoxyphenyl)-N,N-dimethylethane-1,2-diamine has a molecular weight of 222.33 g/mol, XLogP of 1.91, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-ethyl-1-(3-methoxyphenyl)-N,N-dimethylethane-1,2-diamine is sourced from PubChem (CID 43177837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).