N'-ethyl-1-(2-methoxy-4-propan-2-ylphenyl)-N-methylethane-1,2-diamine

C15H26N2O — CID 116950339

IUPACN'-ethyl-1-(2-methoxy-4-propan-2-ylphenyl)-N-methylethane-1,2-diamine
SMILESCCNCC(NC)c1ccc(C(C)C)cc1OC
InChIInChI=1S/C15H26N2O/c1-6-17-10-14(16-4)13-8-7-12(11(2)3)9-15(13)18-5/h7-9,11,14,16-17H,6,10H2,1-5H3
InChIKeyONUFMBLBAFYDOZ-UHFFFAOYSA-N
MW250.39 g/mol
LogP2.69
Rot. Bonds7

About N'-ethyl-1-(2-methoxy-4-propan-2-ylphenyl)-N-methylethane-1,2-diamine

N'-ethyl-1-(2-methoxy-4-propan-2-ylphenyl)-N-methylethane-1,2-diamine (PubChem CID 116950339) has the molecular formula C15H26N2O and a molecular weight of 250.39 g/mol. Its IUPAC name is N'-ethyl-1-(2-methoxy-4-propan-2-ylphenyl)-N-methylethane-1,2-diamine.

Molecular Properties

Compound NameN'-ethyl-1-(2-methoxy-4-propan-2-ylphenyl)-N-methylethane-1,2-diamine
PubChem CID116950339
Molecular FormulaC15H26N2O
Molecular Weight250.39 g/mol
Exact Mass250.20
IUPAC NameN'-ethyl-1-(2-methoxy-4-propan-2-ylphenyl)-N-methylethane-1,2-diamine
SMILESCCNCC(NC)c1ccc(C(C)C)cc1OC
InChIInChI=1S/C15H26N2O/c1-6-17-10-14(16-4)13-8-7-12(11(2)3)9-15(13)18-5/h7-9,11,14,16-17H,6,10H2,1-5H3
InChIKeyONUFMBLBAFYDOZ-UHFFFAOYSA-N
XLogP2.69
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N'-ethyl-1-(2-methoxy-4-propan-2-ylphenyl)ethane-1,2-diamine
CID 116934906
N'-ethyl-1-(4-methoxy-3-propan-2-ylphenyl)-N-methylethane-1,2-diamine
CID 116950303
1-(2-methoxy-4-propan-2-ylphenyl)-N-methylpropane-1,3-diamine
CID 116948411
(2-methoxy-4-propan-2-ylphenyl)-(methylamino)methanethiol
CID 116954517
1-(2,4-dimethoxy-3-methylphenyl)-N'-ethyl-N-methylethane-1,2-diamine
CID 116950345
2-methoxy-1-(2-methoxy-5-propan-2-ylphenyl)-N-methylethanamine
CID 112518271
1-(2-methoxy-4-propan-2-ylphenyl)ethanol
CID 83531211
methyl 2-(2-methoxy-4-propan-2-ylphenyl)-2-(methylamino)acetate
CID 116857011
1-(2-methoxy-4-propan-2-ylphenyl)ethylhydrazine
CID 82470592
N'-ethyl-N-methyl-1-(2,4,5-trimethylphenyl)ethane-1,2-diamine
CID 116950342
amino-(2-methoxy-4-propan-2-ylphenyl)methanol
CID 116939637
2-ethoxy-1-methoxy-4-propan-2-ylbenzene
CID 22087689

Frequently Asked Questions

What is the IUPAC name of N'-ethyl-1-(2-methoxy-4-propan-2-ylphenyl)-N-methylethane-1,2-diamine?
The IUPAC name of N'-ethyl-1-(2-methoxy-4-propan-2-ylphenyl)-N-methylethane-1,2-diamine (CID 116950339) is N'-ethyl-1-(2-methoxy-4-propan-2-ylphenyl)-N-methylethane-1,2-diamine.
What is the SMILES notation for N'-ethyl-1-(2-methoxy-4-propan-2-ylphenyl)-N-methylethane-1,2-diamine?
The canonical SMILES for N'-ethyl-1-(2-methoxy-4-propan-2-ylphenyl)-N-methylethane-1,2-diamine is CCNCC(NC)c1ccc(C(C)C)cc1OC.
What is the InChIKey of N'-ethyl-1-(2-methoxy-4-propan-2-ylphenyl)-N-methylethane-1,2-diamine?
The InChIKey is ONUFMBLBAFYDOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O/c1-6-17-10-14(16-4)13-8-7-12(11(2)3)9-15(13)18-5/h7-9,11,14,16-17H,6,10H2,1-5H3.
What are the key properties of N'-ethyl-1-(2-methoxy-4-propan-2-ylphenyl)-N-methylethane-1,2-diamine?
N'-ethyl-1-(2-methoxy-4-propan-2-ylphenyl)-N-methylethane-1,2-diamine has a molecular weight of 250.39 g/mol, XLogP of 2.69, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-ethyl-1-(2-methoxy-4-propan-2-ylphenyl)-N-methylethane-1,2-diamine is sourced from PubChem (CID 116950339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).