N'-ethyl-1-(2-methoxy-5-methylphenyl)-N'-(2-methylbutyl)ethane-1,2-diamine

C17H30N2O — CID 79476746

IUPACN'-ethyl-1-(2-methoxy-5-methylphenyl)-N'-(2-methylbutyl)ethane-1,2-diamine
SMILESCCC(C)CN(CC)CC(N)c1cc(C)ccc1OC
InChIInChI=1S/C17H30N2O/c1-6-13(3)11-19(7-2)12-16(18)15-10-14(4)8-9-17(15)20-5/h8-10,13,16H,6-7,11-12,18H2,1-5H3
InChIKeyCSBVGDBIDGIKBB-UHFFFAOYSA-N
MW278.44 g/mol
LogP3.37
Rot. Bonds8

About N'-ethyl-1-(2-methoxy-5-methylphenyl)-N'-(2-methylbutyl)ethane-1,2-diamine

N'-ethyl-1-(2-methoxy-5-methylphenyl)-N'-(2-methylbutyl)ethane-1,2-diamine (PubChem CID 79476746) has the molecular formula C17H30N2O and a molecular weight of 278.44 g/mol. Its IUPAC name is N'-ethyl-1-(2-methoxy-5-methylphenyl)-N'-(2-methylbutyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-ethyl-1-(2-methoxy-5-methylphenyl)-N'-(2-methylbutyl)ethane-1,2-diamine
PubChem CID79476746
Molecular FormulaC17H30N2O
Molecular Weight278.44 g/mol
Exact Mass278.24
IUPAC NameN'-ethyl-1-(2-methoxy-5-methylphenyl)-N'-(2-methylbutyl)ethane-1,2-diamine
SMILESCCC(C)CN(CC)CC(N)c1cc(C)ccc1OC
InChIInChI=1S/C17H30N2O/c1-6-13(3)11-19(7-2)12-16(18)15-10-14(4)8-9-17(15)20-5/h8-10,13,16H,6-7,11-12,18H2,1-5H3
InChIKeyCSBVGDBIDGIKBB-UHFFFAOYSA-N
XLogP3.37
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.44
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-methoxy-5-methylphenyl)-N',N'-bis(2-methylpropyl)ethane-1,2-diamine
CID 61376925
N'-ethyl-1-(2-methoxy-5-methylphenyl)-N'-propan-2-ylethane-1,2-diamine
CID 43265729
N'-butan-2-yl-1-(2-methoxy-5-methylphenyl)-N'-methylethane-1,2-diamine
CID 43272869
(1R)-1-(2-methoxy-5-methylphenyl)butan-1-amine
CID 55278250
N'-[2-(dimethylamino)ethyl]-1-(2-methoxy-5-methylphenyl)-N'-methylethane-1,2-diamine
CID 63693966
(2S)-2-amino-2-(2-methoxy-5-methylphenyl)ethanol
CID 55278412
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
1-(2-methoxy-5-methylphenyl)decan-1-amine
CID 65449338
1-(2-methoxy-5-methylphenyl)undecan-1-amine
CID 115845828
N-ethyl-1-(2-methoxy-5-methylphenyl)-3-methylpentan-1-amine
CID 114874388
1-(2-methoxy-5-methylphenyl)-2-pentan-2-yloxyethanamine
CID 102981344

Frequently Asked Questions

What is the IUPAC name of N'-ethyl-1-(2-methoxy-5-methylphenyl)-N'-(2-methylbutyl)ethane-1,2-diamine?
The IUPAC name of N'-ethyl-1-(2-methoxy-5-methylphenyl)-N'-(2-methylbutyl)ethane-1,2-diamine (CID 79476746) is N'-ethyl-1-(2-methoxy-5-methylphenyl)-N'-(2-methylbutyl)ethane-1,2-diamine.
What is the SMILES notation for N'-ethyl-1-(2-methoxy-5-methylphenyl)-N'-(2-methylbutyl)ethane-1,2-diamine?
The canonical SMILES for N'-ethyl-1-(2-methoxy-5-methylphenyl)-N'-(2-methylbutyl)ethane-1,2-diamine is CCC(C)CN(CC)CC(N)c1cc(C)ccc1OC.
What is the InChIKey of N'-ethyl-1-(2-methoxy-5-methylphenyl)-N'-(2-methylbutyl)ethane-1,2-diamine?
The InChIKey is CSBVGDBIDGIKBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O/c1-6-13(3)11-19(7-2)12-16(18)15-10-14(4)8-9-17(15)20-5/h8-10,13,16H,6-7,11-12,18H2,1-5H3.
What are the key properties of N'-ethyl-1-(2-methoxy-5-methylphenyl)-N'-(2-methylbutyl)ethane-1,2-diamine?
N'-ethyl-1-(2-methoxy-5-methylphenyl)-N'-(2-methylbutyl)ethane-1,2-diamine has a molecular weight of 278.44 g/mol, XLogP of 3.37, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-ethyl-1-(2-methoxy-5-methylphenyl)-N'-(2-methylbutyl)ethane-1,2-diamine is sourced from PubChem (CID 79476746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).