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

C15H27N3O — CID 63693966

IUPACN'-[2-(dimethylamino)ethyl]-1-(2-methoxy-5-methylphenyl)-N'-methylethane-1,2-diamine
SMILESCOc1ccc(C)cc1C(N)CN(C)CCN(C)C
InChIInChI=1S/C15H27N3O/c1-12-6-7-15(19-5)13(10-12)14(16)11-18(4)9-8-17(2)3/h6-7,10,14H,8-9,11,16H2,1-5H3
InChIKeyXKMJJENNFGJJFJ-UHFFFAOYSA-N
MW265.40 g/mol
LogP1.50
Rot. Bonds7

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

N'-[2-(dimethylamino)ethyl]-1-(2-methoxy-5-methylphenyl)-N'-methylethane-1,2-diamine (PubChem CID 63693966) has the molecular formula C15H27N3O and a molecular weight of 265.40 g/mol. Its IUPAC name is N'-[2-(dimethylamino)ethyl]-1-(2-methoxy-5-methylphenyl)-N'-methylethane-1,2-diamine.

Molecular Properties

Compound NameN'-[2-(dimethylamino)ethyl]-1-(2-methoxy-5-methylphenyl)-N'-methylethane-1,2-diamine
PubChem CID63693966
Molecular FormulaC15H27N3O
Molecular Weight265.40 g/mol
Exact Mass265.22
IUPAC NameN'-[2-(dimethylamino)ethyl]-1-(2-methoxy-5-methylphenyl)-N'-methylethane-1,2-diamine
SMILESCOc1ccc(C)cc1C(N)CN(C)CCN(C)C
InChIInChI=1S/C15H27N3O/c1-12-6-7-15(19-5)13(10-12)14(16)11-18(4)9-8-17(2)3/h6-7,10,14H,8-9,11,16H2,1-5H3
InChIKeyXKMJJENNFGJJFJ-UHFFFAOYSA-N
XLogP1.50
TPSA41.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N'-(2-methoxyethyl)-1-(2-methoxy-5-methylphenyl)-N'-methylethane-1,2-diamine
CID 61427087
1-(2-methoxy-5-methylphenyl)-N'-methyl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
CID 60891376
N'-[2-(dimethylamino)ethyl]-N-ethyl-1-(2-methoxy-5-methylphenyl)-N'-methylethane-1,2-diamine
CID 63694845
1-(2-methoxy-5-methylphenyl)-N',N'-bis(2-methylpropyl)ethane-1,2-diamine
CID 61376925
N'-butan-2-yl-1-(2-methoxy-5-methylphenyl)-N'-methylethane-1,2-diamine
CID 43272869
N'-ethyl-1-(2-methoxy-5-methylphenyl)-N'-propan-2-ylethane-1,2-diamine
CID 43265729
(2S)-2-amino-2-(2-methoxy-5-methylphenyl)ethanol
CID 55278412
(1R)-1-(2-methoxy-5-methylphenyl)butan-1-amine
CID 55278250
2-amino-2-(2-methoxy-5-methylphenyl)-N,N-dimethylethanesulfonamide
CID 82359813
N'-ethyl-1-(2-methoxy-5-methylphenyl)-N'-(2-methylbutyl)ethane-1,2-diamine
CID 79476746
2-[2-methoxyethyl(methyl)amino]-1-(2-methoxy-5-methylphenyl)ethanol
CID 54980294
N-[2-chloro-2-(2-methoxy-5-methylphenyl)ethyl]-N-methylbutan-1-amine
CID 82214740

Frequently Asked Questions

What is the IUPAC name of N'-[2-(dimethylamino)ethyl]-1-(2-methoxy-5-methylphenyl)-N'-methylethane-1,2-diamine?
The IUPAC name of N'-[2-(dimethylamino)ethyl]-1-(2-methoxy-5-methylphenyl)-N'-methylethane-1,2-diamine (CID 63693966) is N'-[2-(dimethylamino)ethyl]-1-(2-methoxy-5-methylphenyl)-N'-methylethane-1,2-diamine.
What is the SMILES notation for N'-[2-(dimethylamino)ethyl]-1-(2-methoxy-5-methylphenyl)-N'-methylethane-1,2-diamine?
The canonical SMILES for N'-[2-(dimethylamino)ethyl]-1-(2-methoxy-5-methylphenyl)-N'-methylethane-1,2-diamine is COc1ccc(C)cc1C(N)CN(C)CCN(C)C.
What is the InChIKey of N'-[2-(dimethylamino)ethyl]-1-(2-methoxy-5-methylphenyl)-N'-methylethane-1,2-diamine?
The InChIKey is XKMJJENNFGJJFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O/c1-12-6-7-15(19-5)13(10-12)14(16)11-18(4)9-8-17(2)3/h6-7,10,14H,8-9,11,16H2,1-5H3.
What are the key properties of N'-[2-(dimethylamino)ethyl]-1-(2-methoxy-5-methylphenyl)-N'-methylethane-1,2-diamine?
N'-[2-(dimethylamino)ethyl]-1-(2-methoxy-5-methylphenyl)-N'-methylethane-1,2-diamine has a molecular weight of 265.40 g/mol, XLogP of 1.50, 7 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-methoxy-5-methylphenyl)-N'-methylethane-1,2-diamine is sourced from PubChem (CID 63693966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).