2-[2-(4-ethoxy-2,6-dimethylphenyl)ethyl]propane-1,3-diamine

C15H26N2O — CID 83940184

IUPAC2-[2-(4-ethoxy-2,6-dimethylphenyl)ethyl]propane-1,3-diamine
SMILESCCOc1cc(C)c(CCC(CN)CN)c(C)c1
InChIInChI=1S/C15H26N2O/c1-4-18-14-7-11(2)15(12(3)8-14)6-5-13(9-16)10-17/h7-8,13H,4-6,9-10,16-17H2,1-3H3
InChIKeyFECXYSVYTQVPCX-UHFFFAOYSA-N
MW250.39 g/mol
LogP2.17
Rot. Bonds7

About 2-[2-(4-ethoxy-2,6-dimethylphenyl)ethyl]propane-1,3-diamine

2-[2-(4-ethoxy-2,6-dimethylphenyl)ethyl]propane-1,3-diamine (PubChem CID 83940184) has the molecular formula C15H26N2O and a molecular weight of 250.39 g/mol. Its IUPAC name is 2-[2-(4-ethoxy-2,6-dimethylphenyl)ethyl]propane-1,3-diamine.

Molecular Properties

Compound Name2-[2-(4-ethoxy-2,6-dimethylphenyl)ethyl]propane-1,3-diamine
PubChem CID83940184
Molecular FormulaC15H26N2O
Molecular Weight250.39 g/mol
Exact Mass250.20
IUPAC Name2-[2-(4-ethoxy-2,6-dimethylphenyl)ethyl]propane-1,3-diamine
SMILESCCOc1cc(C)c(CCC(CN)CN)c(C)c1
InChIInChI=1S/C15H26N2O/c1-4-18-14-7-11(2)15(12(3)8-14)6-5-13(9-16)10-17/h7-8,13H,4-6,9-10,16-17H2,1-3H3
InChIKeyFECXYSVYTQVPCX-UHFFFAOYSA-N
XLogP2.17
TPSA61.27 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 ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-(4-ethoxy-2,6-dimethylphenyl)propan-2-yl]propane-1,3-diamine
CID 83940188
2-[2-(2,3,6-trimethyl-4-propoxyphenyl)ethyl]propane-1,3-diamine
CID 83939555
2-but-3-enyl-5-ethoxy-1,3-dimethylbenzene
CID 83940244
4-(4-ethoxy-2,6-dimethylphenyl)butanethioamide
CID 83940226
2-(aminomethyl)-4-(5-chloro-2-ethoxy-3,6-dimethylphenyl)butan-1-ol
CID 83940579
2-(aminomethyl)-4-(4-ethoxy-2,6-dimethylphenyl)hexan-1-ol
CID 83940191
2-[2-(5-chloro-2,4-diethoxyphenyl)ethyl]propane-1,3-diamine
CID 83943406
2-[2-(3,5-dichloro-2-ethoxyphenyl)ethyl]propane-1,3-diamine
CID 83941186
2-[2-(2-methoxy-6-methylphenyl)ethyl]propane-1,3-diamine
CID 83923856
1-amino-4-(5-chloro-2-ethoxy-3,6-dimethylphenyl)butan-2-ol
CID 83940650
1-chloro-5-ethoxy-2-iodo-3-methylbenzene
CID 164892578
2-(aminomethyl)-4-(5-chloro-2-ethoxy-4-methylphenyl)butan-1-ol
CID 83937598

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-ethoxy-2,6-dimethylphenyl)ethyl]propane-1,3-diamine?
The IUPAC name of 2-[2-(4-ethoxy-2,6-dimethylphenyl)ethyl]propane-1,3-diamine (CID 83940184) is 2-[2-(4-ethoxy-2,6-dimethylphenyl)ethyl]propane-1,3-diamine.
What is the SMILES notation for 2-[2-(4-ethoxy-2,6-dimethylphenyl)ethyl]propane-1,3-diamine?
The canonical SMILES for 2-[2-(4-ethoxy-2,6-dimethylphenyl)ethyl]propane-1,3-diamine is CCOc1cc(C)c(CCC(CN)CN)c(C)c1.
What is the InChIKey of 2-[2-(4-ethoxy-2,6-dimethylphenyl)ethyl]propane-1,3-diamine?
The InChIKey is FECXYSVYTQVPCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O/c1-4-18-14-7-11(2)15(12(3)8-14)6-5-13(9-16)10-17/h7-8,13H,4-6,9-10,16-17H2,1-3H3.
What are the key properties of 2-[2-(4-ethoxy-2,6-dimethylphenyl)ethyl]propane-1,3-diamine?
2-[2-(4-ethoxy-2,6-dimethylphenyl)ethyl]propane-1,3-diamine has a molecular weight of 250.39 g/mol, XLogP of 2.17, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-ethoxy-2,6-dimethylphenyl)ethyl]propane-1,3-diamine is sourced from PubChem (CID 83940184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).