N'-[2-(dimethylamino)ethyl]-N-ethyl-1-(2-methoxy-5-methylphenyl)-N'-methylethane-1,2-diamine

C17H31N3O — CID 63694845

IUPACN'-[2-(dimethylamino)ethyl]-N-ethyl-1-(2-methoxy-5-methylphenyl)-N'-methylethane-1,2-diamine
SMILESCCNC(CN(C)CCN(C)C)c1cc(C)ccc1OC
InChIInChI=1S/C17H31N3O/c1-7-18-16(13-20(5)11-10-19(3)4)15-12-14(2)8-9-17(15)21-6/h8-9,12,16,18H,7,10-11,13H2,1-6H3
InChIKeyXJKMUWIQRGGQTR-UHFFFAOYSA-N
MW293.46 g/mol
LogP2.15
Rot. Bonds9

About N'-[2-(dimethylamino)ethyl]-N-ethyl-1-(2-methoxy-5-methylphenyl)-N'-methylethane-1,2-diamine

N'-[2-(dimethylamino)ethyl]-N-ethyl-1-(2-methoxy-5-methylphenyl)-N'-methylethane-1,2-diamine (PubChem CID 63694845) has the molecular formula C17H31N3O and a molecular weight of 293.46 g/mol. Its IUPAC name is N'-[2-(dimethylamino)ethyl]-N-ethyl-1-(2-methoxy-5-methylphenyl)-N'-methylethane-1,2-diamine.

Molecular Properties

Compound NameN'-[2-(dimethylamino)ethyl]-N-ethyl-1-(2-methoxy-5-methylphenyl)-N'-methylethane-1,2-diamine
PubChem CID63694845
Molecular FormulaC17H31N3O
Molecular Weight293.46 g/mol
Exact Mass293.25
IUPAC NameN'-[2-(dimethylamino)ethyl]-N-ethyl-1-(2-methoxy-5-methylphenyl)-N'-methylethane-1,2-diamine
SMILESCCNC(CN(C)CCN(C)C)c1cc(C)ccc1OC
InChIInChI=1S/C17H31N3O/c1-7-18-16(13-20(5)11-10-19(3)4)15-12-14(2)8-9-17(15)21-6/h8-9,12,16,18H,7,10-11,13H2,1-6H3
InChIKeyXJKMUWIQRGGQTR-UHFFFAOYSA-N
XLogP2.15
TPSA27.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.46
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N'-(2-ethoxyethyl)-N-ethyl-1-(2-methoxy-5-methylphenyl)-N'-methylethane-1,2-diamine
CID 81035993
N-ethyl-1-(2-methoxy-5-methylphenyl)-N'-(3-methoxypropyl)-N'-methylethane-1,2-diamine
CID 62983603
N'-[2-(dimethylamino)ethyl]-1-(2,5-dimethylphenyl)-N-ethyl-N'-methylethane-1,2-diamine
CID 63695016
N'-[2-(dimethylamino)ethyl]-1-(2-methoxy-5-methylphenyl)-N'-methylethane-1,2-diamine
CID 63693966
N-ethyl-1-(2-methoxy-5-methylphenyl)-4-methylpentan-1-amine
CID 43626298
N-ethyl-1-(2-methoxy-5-methylphenyl)-3-methylpentan-1-amine
CID 114874388
N'-[2-(ethylamino)-2-(2-methylphenyl)ethyl]-N,N,N'-trimethylpropane-1,3-diamine
CID 63693986
2-cyclopentyl-N-ethyl-1-(2-methoxy-5-methylphenyl)ethanamine
CID 60778145
N-ethyl-1-(2-methoxyphenyl)-N'-(3-methoxypropyl)-N'-methylethane-1,2-diamine
CID 62985012
N-ethyl-2-(4-iodophenyl)-1-(2-methoxy-5-methylphenyl)ethanamine
CID 115864174
N-ethyl-3-(2-methoxyethoxy)-1-(2-methoxy-5-methylphenyl)propan-1-amine
CID 102928464
2-(4-chlorophenyl)-N-ethyl-1-(2-methoxy-5-methylphenyl)ethanamine
CID 43626354

Frequently Asked Questions

What is the IUPAC name of N'-[2-(dimethylamino)ethyl]-N-ethyl-1-(2-methoxy-5-methylphenyl)-N'-methylethane-1,2-diamine?
The IUPAC name of N'-[2-(dimethylamino)ethyl]-N-ethyl-1-(2-methoxy-5-methylphenyl)-N'-methylethane-1,2-diamine (CID 63694845) is N'-[2-(dimethylamino)ethyl]-N-ethyl-1-(2-methoxy-5-methylphenyl)-N'-methylethane-1,2-diamine.
What is the SMILES notation for N'-[2-(dimethylamino)ethyl]-N-ethyl-1-(2-methoxy-5-methylphenyl)-N'-methylethane-1,2-diamine?
The canonical SMILES for N'-[2-(dimethylamino)ethyl]-N-ethyl-1-(2-methoxy-5-methylphenyl)-N'-methylethane-1,2-diamine is CCNC(CN(C)CCN(C)C)c1cc(C)ccc1OC.
What is the InChIKey of N'-[2-(dimethylamino)ethyl]-N-ethyl-1-(2-methoxy-5-methylphenyl)-N'-methylethane-1,2-diamine?
The InChIKey is XJKMUWIQRGGQTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N3O/c1-7-18-16(13-20(5)11-10-19(3)4)15-12-14(2)8-9-17(15)21-6/h8-9,12,16,18H,7,10-11,13H2,1-6H3.
What are the key properties of N'-[2-(dimethylamino)ethyl]-N-ethyl-1-(2-methoxy-5-methylphenyl)-N'-methylethane-1,2-diamine?
N'-[2-(dimethylamino)ethyl]-N-ethyl-1-(2-methoxy-5-methylphenyl)-N'-methylethane-1,2-diamine has a molecular weight of 293.46 g/mol, XLogP of 2.15, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(dimethylamino)ethyl]-N-ethyl-1-(2-methoxy-5-methylphenyl)-N'-methylethane-1,2-diamine is sourced from PubChem (CID 63694845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).