2-[1-(4-ethoxy-2,3-dimethylphenyl)propan-2-yl]propane-1,3-diamine

C16H28N2O — CID 83939804

IUPAC2-[1-(4-ethoxy-2,3-dimethylphenyl)propan-2-yl]propane-1,3-diamine
SMILESCCOc1ccc(CC(C)C(CN)CN)c(C)c1C
InChIInChI=1S/C16H28N2O/c1-5-19-16-7-6-14(12(3)13(16)4)8-11(2)15(9-17)10-18/h6-7,11,15H,5,8-10,17-18H2,1-4H3
InChIKeySARMROIVBIUPSW-UHFFFAOYSA-N
MW264.41 g/mol
LogP2.41
Rot. Bonds7

About 2-[1-(4-ethoxy-2,3-dimethylphenyl)propan-2-yl]propane-1,3-diamine

2-[1-(4-ethoxy-2,3-dimethylphenyl)propan-2-yl]propane-1,3-diamine (PubChem CID 83939804) has the molecular formula C16H28N2O and a molecular weight of 264.41 g/mol. Its IUPAC name is 2-[1-(4-ethoxy-2,3-dimethylphenyl)propan-2-yl]propane-1,3-diamine.

Molecular Properties

Compound Name2-[1-(4-ethoxy-2,3-dimethylphenyl)propan-2-yl]propane-1,3-diamine
PubChem CID83939804
Molecular FormulaC16H28N2O
Molecular Weight264.41 g/mol
Exact Mass264.22
IUPAC Name2-[1-(4-ethoxy-2,3-dimethylphenyl)propan-2-yl]propane-1,3-diamine
SMILESCCOc1ccc(CC(C)C(CN)CN)c(C)c1C
InChIInChI=1S/C16H28N2O/c1-5-19-16-7-6-14(12(3)13(16)4)8-11(2)15(9-17)10-18/h6-7,11,15H,5,8-10,17-18H2,1-4H3
InChIKeySARMROIVBIUPSW-UHFFFAOYSA-N
XLogP2.41
TPSA61.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.41
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-(2-ethoxy-5-methylphenyl)propan-2-yl]propane-1,3-diamine
CID 83933623
2-(aminomethyl)-4-(4-ethoxy-2,3,6-trimethylphenyl)-3-methylbutan-1-ol
CID 83939433
2-[1-(2-methoxy-5-methylphenyl)propan-2-yl]propane-1,3-diamine
CID 83933019
6-(4-ethoxy-2,3-dimethylphenyl)hexan-3-amine
CID 83939848
1-[4-(cyclopropylmethoxy)-2,3-dimethylphenyl]propan-2-amine
CID 170891556
2-[1-(4-ethoxy-2,6-dimethylphenyl)propan-2-yl]propane-1,3-diamine
CID 83940188
(2S)-3-(2-ethoxyphenyl)-2-methylpropan-1-amine
CID 42325849
3-(4-ethoxy-2,3-dimethylphenyl)propanethioamide
CID 83939838
1-(4-ethoxy-2,3-dimethylphenyl)hexane-3,4-diol
CID 83939907
2-[1-(2,5-dimethylphenyl)propan-2-yl]propane-1,3-diamine
CID 83928106
2-[1-(3,4-diethoxyphenyl)ethyl]propane-1,3-diamine
CID 83923547
1-[4-(cyclopropylmethoxy)-2,3-dimethylphenyl]butan-2-amine;hydrochloride
CID 170890247

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-ethoxy-2,3-dimethylphenyl)propan-2-yl]propane-1,3-diamine?
The IUPAC name of 2-[1-(4-ethoxy-2,3-dimethylphenyl)propan-2-yl]propane-1,3-diamine (CID 83939804) is 2-[1-(4-ethoxy-2,3-dimethylphenyl)propan-2-yl]propane-1,3-diamine.
What is the SMILES notation for 2-[1-(4-ethoxy-2,3-dimethylphenyl)propan-2-yl]propane-1,3-diamine?
The canonical SMILES for 2-[1-(4-ethoxy-2,3-dimethylphenyl)propan-2-yl]propane-1,3-diamine is CCOc1ccc(CC(C)C(CN)CN)c(C)c1C.
What is the InChIKey of 2-[1-(4-ethoxy-2,3-dimethylphenyl)propan-2-yl]propane-1,3-diamine?
The InChIKey is SARMROIVBIUPSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O/c1-5-19-16-7-6-14(12(3)13(16)4)8-11(2)15(9-17)10-18/h6-7,11,15H,5,8-10,17-18H2,1-4H3.
What are the key properties of 2-[1-(4-ethoxy-2,3-dimethylphenyl)propan-2-yl]propane-1,3-diamine?
2-[1-(4-ethoxy-2,3-dimethylphenyl)propan-2-yl]propane-1,3-diamine has a molecular weight of 264.41 g/mol, XLogP of 2.41, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-ethoxy-2,3-dimethylphenyl)propan-2-yl]propane-1,3-diamine is sourced from PubChem (CID 83939804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).