2-ethyl-1-(2-methoxy-4,6-dimethylphenyl)propane-1,3-diamine

C14H24N2O — CID 116945508

IUPAC2-ethyl-1-(2-methoxy-4,6-dimethylphenyl)propane-1,3-diamine
SMILESCCC(CN)C(N)c1c(C)cc(C)cc1OC
InChIInChI=1S/C14H24N2O/c1-5-11(8-15)14(16)13-10(3)6-9(2)7-12(13)17-4/h6-7,11,14H,5,8,15-16H2,1-4H3
InChIKeyTYBUDCBFKYFKFJ-UHFFFAOYSA-N
MW236.36 g/mol
LogP2.30
Rot. Bonds5

About 2-ethyl-1-(2-methoxy-4,6-dimethylphenyl)propane-1,3-diamine

2-ethyl-1-(2-methoxy-4,6-dimethylphenyl)propane-1,3-diamine (PubChem CID 116945508) has the molecular formula C14H24N2O and a molecular weight of 236.36 g/mol. Its IUPAC name is 2-ethyl-1-(2-methoxy-4,6-dimethylphenyl)propane-1,3-diamine.

Molecular Properties

Compound Name2-ethyl-1-(2-methoxy-4,6-dimethylphenyl)propane-1,3-diamine
PubChem CID116945508
Molecular FormulaC14H24N2O
Molecular Weight236.36 g/mol
Exact Mass236.19
IUPAC Name2-ethyl-1-(2-methoxy-4,6-dimethylphenyl)propane-1,3-diamine
SMILESCCC(CN)C(N)c1c(C)cc(C)cc1OC
InChIInChI=1S/C14H24N2O/c1-5-11(8-15)14(16)13-10(3)6-9(2)7-12(13)17-4/h6-7,11,14H,5,8,15-16H2,1-4H3
InChIKeyTYBUDCBFKYFKFJ-UHFFFAOYSA-N
XLogP2.30
TPSA61.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-ethyl-1-(2-methoxy-4,6-dimethylphenyl)-N'-methylpropane-1,3-diamine
CID 116946510
ethyl 2-amino-2-(2-methoxy-4,6-dimethylphenyl)acetate
CID 3904081
2-[amino-(2-methoxy-4,6-dimethylphenyl)methyl]-3-methylbutan-1-ol
CID 116945650
2-N,2-N-diethyl-1-(2-methoxy-4,6-dimethylphenyl)-2-methylpropane-1,2-diamine
CID 106680712
2-amino-2-(2-methoxy-4,6-dimethylphenyl)ethanol
CID 77129779
2-[(2-methoxy-4,6-dimethylphenyl)methyl]-3-methylbutan-1-amine
CID 116931118
N'-ethyl-1-(2-methoxy-4,6-dimethylphenyl)ethane-1,2-diamine
CID 116934935
1-(2-methoxy-4,6-dimethylphenyl)-N'-methyl-2-propan-2-ylpropane-1,3-diamine
CID 116945907
2-ethyl-1-(2-methoxy-4,6-dimethylphenyl)hexan-1-ol
CID 106682520
2-ethyl-1-(2,4,5-trimethylphenyl)propane-1,3-diamine
CID 116945487
3-amino-3-(2-methoxy-4,6-dimethylphenyl)propanenitrile
CID 116851261
1-(2-methoxy-4,6-dimethylphenyl)-2-propan-2-ylsulfanylethanamine
CID 106680616

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1-(2-methoxy-4,6-dimethylphenyl)propane-1,3-diamine?
The IUPAC name of 2-ethyl-1-(2-methoxy-4,6-dimethylphenyl)propane-1,3-diamine (CID 116945508) is 2-ethyl-1-(2-methoxy-4,6-dimethylphenyl)propane-1,3-diamine.
What is the SMILES notation for 2-ethyl-1-(2-methoxy-4,6-dimethylphenyl)propane-1,3-diamine?
The canonical SMILES for 2-ethyl-1-(2-methoxy-4,6-dimethylphenyl)propane-1,3-diamine is CCC(CN)C(N)c1c(C)cc(C)cc1OC.
What is the InChIKey of 2-ethyl-1-(2-methoxy-4,6-dimethylphenyl)propane-1,3-diamine?
The InChIKey is TYBUDCBFKYFKFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O/c1-5-11(8-15)14(16)13-10(3)6-9(2)7-12(13)17-4/h6-7,11,14H,5,8,15-16H2,1-4H3.
What are the key properties of 2-ethyl-1-(2-methoxy-4,6-dimethylphenyl)propane-1,3-diamine?
2-ethyl-1-(2-methoxy-4,6-dimethylphenyl)propane-1,3-diamine has a molecular weight of 236.36 g/mol, XLogP of 2.30, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1-(2-methoxy-4,6-dimethylphenyl)propane-1,3-diamine is sourced from PubChem (CID 116945508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).