N'-[2-(dimethylamino)ethyl]-1-(2-ethoxyphenyl)-N'-methylethane-1,2-diamine

C15H27N3O — CID 55228302

IUPACN'-[2-(dimethylamino)ethyl]-1-(2-ethoxyphenyl)-N'-methylethane-1,2-diamine
SMILESCCOc1ccccc1C(N)CN(C)CCN(C)C
InChIInChI=1S/C15H27N3O/c1-5-19-15-9-7-6-8-13(15)14(16)12-18(4)11-10-17(2)3/h6-9,14H,5,10-12,16H2,1-4H3
InChIKeyDRPKNKZNBMBVML-UHFFFAOYSA-N
MW265.40 g/mol
LogP1.58
Rot. Bonds8

About N'-[2-(dimethylamino)ethyl]-1-(2-ethoxyphenyl)-N'-methylethane-1,2-diamine

N'-[2-(dimethylamino)ethyl]-1-(2-ethoxyphenyl)-N'-methylethane-1,2-diamine (PubChem CID 55228302) has the molecular formula C15H27N3O and a molecular weight of 265.40 g/mol. Its IUPAC name is N'-[2-(dimethylamino)ethyl]-1-(2-ethoxyphenyl)-N'-methylethane-1,2-diamine.

Molecular Properties

Compound NameN'-[2-(dimethylamino)ethyl]-1-(2-ethoxyphenyl)-N'-methylethane-1,2-diamine
PubChem CID55228302
Molecular FormulaC15H27N3O
Molecular Weight265.40 g/mol
Exact Mass265.22
IUPAC NameN'-[2-(dimethylamino)ethyl]-1-(2-ethoxyphenyl)-N'-methylethane-1,2-diamine
SMILESCCOc1ccccc1C(N)CN(C)CCN(C)C
InChIInChI=1S/C15H27N3O/c1-5-19-15-9-7-6-8-13(15)14(16)12-18(4)11-10-17(2)3/h6-9,14H,5,10-12,16H2,1-4H3
InChIKeyDRPKNKZNBMBVML-UHFFFAOYSA-N
XLogP1.58
TPSA41.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(dimethylamino)ethyl-methylamino]-1-(2-ethoxyphenyl)ethanol
CID 55228321
1-(2-ethoxyphenyl)-N'-methyl-N'-(2-methylbutyl)ethane-1,2-diamine
CID 43295700
1-(2-ethoxyphenyl)-N'-methyl-N'-propan-2-ylethane-1,2-diamine
CID 16788139
1-(2-ethoxyphenyl)-N'-methyl-N'-pentan-3-ylethane-1,2-diamine
CID 43570986
N',N'-dibutyl-1-(2-ethoxyphenyl)ethane-1,2-diamine
CID 43125934
(1R)-1-(2-ethoxyphenyl)-2-fluoroethanamine
CID 124705479
N'-(cyclopentylmethyl)-1-(2-ethoxyphenyl)-N'-methylethane-1,2-diamine
CID 63632634
(1S)-1-(2-ethoxyphenyl)propan-1-amine;hydrochloride
CID 171221746
N'-ethyl-1-(2-methoxyphenyl)-N'-methylethane-1,2-diamine
CID 43263333
N'-cyclopentyl-1-(2-ethoxyphenyl)-N'-methylethane-1,2-diamine
CID 43267133
1-(2-ethoxyphenyl)-N'-(1-methoxypropan-2-yl)-N'-methylethane-1,2-diamine
CID 61451424
N'-cyclopropyl-1-(2-ethoxyphenyl)-N'-ethylethane-1,2-diamine
CID 43264145

Frequently Asked Questions

What is the IUPAC name of N'-[2-(dimethylamino)ethyl]-1-(2-ethoxyphenyl)-N'-methylethane-1,2-diamine?
The IUPAC name of N'-[2-(dimethylamino)ethyl]-1-(2-ethoxyphenyl)-N'-methylethane-1,2-diamine (CID 55228302) is N'-[2-(dimethylamino)ethyl]-1-(2-ethoxyphenyl)-N'-methylethane-1,2-diamine.
What is the SMILES notation for N'-[2-(dimethylamino)ethyl]-1-(2-ethoxyphenyl)-N'-methylethane-1,2-diamine?
The canonical SMILES for N'-[2-(dimethylamino)ethyl]-1-(2-ethoxyphenyl)-N'-methylethane-1,2-diamine is CCOc1ccccc1C(N)CN(C)CCN(C)C.
What is the InChIKey of N'-[2-(dimethylamino)ethyl]-1-(2-ethoxyphenyl)-N'-methylethane-1,2-diamine?
The InChIKey is DRPKNKZNBMBVML-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O/c1-5-19-15-9-7-6-8-13(15)14(16)12-18(4)11-10-17(2)3/h6-9,14H,5,10-12,16H2,1-4H3.
What are the key properties of N'-[2-(dimethylamino)ethyl]-1-(2-ethoxyphenyl)-N'-methylethane-1,2-diamine?
N'-[2-(dimethylamino)ethyl]-1-(2-ethoxyphenyl)-N'-methylethane-1,2-diamine has a molecular weight of 265.40 g/mol, XLogP of 1.58, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(dimethylamino)ethyl]-1-(2-ethoxyphenyl)-N'-methylethane-1,2-diamine is sourced from PubChem (CID 55228302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).