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

C16H28N2O — CID 83940188

IUPAC2-[1-(4-ethoxy-2,6-dimethylphenyl)propan-2-yl]propane-1,3-diamine
SMILESCCOc1cc(C)c(CC(C)C(CN)CN)c(C)c1
InChIInChI=1S/C16H28N2O/c1-5-19-15-6-12(3)16(13(4)7-15)8-11(2)14(9-17)10-18/h6-7,11,14H,5,8-10,17-18H2,1-4H3
InChIKeyKRIFSMQCKUQGJI-UHFFFAOYSA-N
MW264.41 g/mol
LogP2.41
Rot. Bonds7

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

2-[1-(4-ethoxy-2,6-dimethylphenyl)propan-2-yl]propane-1,3-diamine (PubChem CID 83940188) has the molecular formula C16H28N2O and a molecular weight of 264.41 g/mol. Its IUPAC name is 2-[1-(4-ethoxy-2,6-dimethylphenyl)propan-2-yl]propane-1,3-diamine.

Molecular Properties

Compound Name2-[1-(4-ethoxy-2,6-dimethylphenyl)propan-2-yl]propane-1,3-diamine
PubChem CID83940188
Molecular FormulaC16H28N2O
Molecular Weight264.41 g/mol
Exact Mass264.22
IUPAC Name2-[1-(4-ethoxy-2,6-dimethylphenyl)propan-2-yl]propane-1,3-diamine
SMILESCCOc1cc(C)c(CC(C)C(CN)CN)c(C)c1
InChIInChI=1S/C16H28N2O/c1-5-19-15-6-12(3)16(13(4)7-15)8-11(2)14(9-17)10-18/h6-7,11,14H,5,8-10,17-18H2,1-4H3
InChIKeyKRIFSMQCKUQGJI-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-(aminomethyl)-4-(4-ethoxy-2,3,6-trimethylphenyl)-3-methylbutan-1-ol
CID 83939433
2-[2-(4-ethoxy-2,6-dimethylphenyl)ethyl]propane-1,3-diamine
CID 83940184
2-[1-(2-ethoxy-5-methylphenyl)propan-2-yl]propane-1,3-diamine
CID 83933623
2-[1-(4-ethoxy-2,3-dimethylphenyl)propan-2-yl]propane-1,3-diamine
CID 83939804
2-(aminomethyl)-4-(4-ethoxyphenyl)-3-methylbutan-1-ol
CID 83932188
4-(4-ethoxy-2,6-dimethylphenyl)butanethioamide
CID 83940226
2-[1-(2,5-dimethylphenyl)propan-2-yl]propane-1,3-diamine
CID 83928106
2-but-3-enyl-5-ethoxy-1,3-dimethylbenzene
CID 83940244
(2R)-1-(3,5-diethoxyphenyl)propan-2-amine
CID 139743645
1-chloro-5-ethoxy-2-iodo-3-methylbenzene
CID 164892578
2-(aminomethyl)-4-(3-chloro-2,4-dimethyl-6-propoxyphenyl)-3-methylbutan-1-ol
CID 83937981
4-(2,6-dimethyl-4-propoxyphenyl)-3-methylbutanethioamide
CID 83940355

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-ethoxy-2,6-dimethylphenyl)propan-2-yl]propane-1,3-diamine?
The IUPAC name of 2-[1-(4-ethoxy-2,6-dimethylphenyl)propan-2-yl]propane-1,3-diamine (CID 83940188) is 2-[1-(4-ethoxy-2,6-dimethylphenyl)propan-2-yl]propane-1,3-diamine.
What is the SMILES notation for 2-[1-(4-ethoxy-2,6-dimethylphenyl)propan-2-yl]propane-1,3-diamine?
The canonical SMILES for 2-[1-(4-ethoxy-2,6-dimethylphenyl)propan-2-yl]propane-1,3-diamine is CCOc1cc(C)c(CC(C)C(CN)CN)c(C)c1.
What is the InChIKey of 2-[1-(4-ethoxy-2,6-dimethylphenyl)propan-2-yl]propane-1,3-diamine?
The InChIKey is KRIFSMQCKUQGJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O/c1-5-19-15-6-12(3)16(13(4)7-15)8-11(2)14(9-17)10-18/h6-7,11,14H,5,8-10,17-18H2,1-4H3.
What are the key properties of 2-[1-(4-ethoxy-2,6-dimethylphenyl)propan-2-yl]propane-1,3-diamine?
2-[1-(4-ethoxy-2,6-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-2,6-dimethylphenyl)propan-2-yl]propane-1,3-diamine is sourced from PubChem (CID 83940188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).