2-[1-(2-ethoxy-5-methylphenyl)propan-2-yl]propane-1,3-diamine

C15H26N2O — CID 83933623

IUPAC2-[1-(2-ethoxy-5-methylphenyl)propan-2-yl]propane-1,3-diamine
SMILESCCOc1ccc(C)cc1CC(C)C(CN)CN
InChIInChI=1S/C15H26N2O/c1-4-18-15-6-5-11(2)7-13(15)8-12(3)14(9-16)10-17/h5-7,12,14H,4,8-10,16-17H2,1-3H3
InChIKeyOFSBPVPPUHVDQA-UHFFFAOYSA-N
MW250.39 g/mol
LogP2.11
Rot. Bonds7

About 2-[1-(2-ethoxy-5-methylphenyl)propan-2-yl]propane-1,3-diamine

2-[1-(2-ethoxy-5-methylphenyl)propan-2-yl]propane-1,3-diamine (PubChem CID 83933623) has the molecular formula C15H26N2O and a molecular weight of 250.39 g/mol. Its IUPAC name is 2-[1-(2-ethoxy-5-methylphenyl)propan-2-yl]propane-1,3-diamine.

Molecular Properties

Compound Name2-[1-(2-ethoxy-5-methylphenyl)propan-2-yl]propane-1,3-diamine
PubChem CID83933623
Molecular FormulaC15H26N2O
Molecular Weight250.39 g/mol
Exact Mass250.20
IUPAC Name2-[1-(2-ethoxy-5-methylphenyl)propan-2-yl]propane-1,3-diamine
SMILESCCOc1ccc(C)cc1CC(C)C(CN)CN
InChIInChI=1S/C15H26N2O/c1-4-18-15-6-5-11(2)7-13(15)8-12(3)14(9-16)10-17/h5-7,12,14H,4,8-10,16-17H2,1-3H3
InChIKeyOFSBPVPPUHVDQA-UHFFFAOYSA-N
XLogP2.11
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 ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-(2-methoxy-5-methylphenyl)propan-2-yl]propane-1,3-diamine
CID 83933019
2-[1-(4-ethoxy-2,3-dimethylphenyl)propan-2-yl]propane-1,3-diamine
CID 83939804
2-[1-(2,5-dimethylphenyl)propan-2-yl]propane-1,3-diamine
CID 83928106
3-(2-ethoxy-5-methylphenyl)-2-methylpropanethioamide
CID 83933660
1-ethoxy-4-methyl-2-(2-methylbut-3-ynyl)benzene
CID 83933680
1-(2-ethoxy-4-methylphenyl)propan-2-amine
CID 55254147
1-[2-[(3,5-dimethylphenyl)methoxy]-5-methylphenyl]propan-2-amine
CID 63325862
ethyl 2-[2-(2-aminopropyl)-4-methylphenoxy]acetate
CID 63326114
2-ethoxy-4-methyl-1-(2-methylpropyl)benzene
CID 118359593
1-[2-(methoxymethoxy)-5-methylphenyl]propan-2-amine
CID 65364966
2-[1-(4-ethoxy-2,6-dimethylphenyl)propan-2-yl]propane-1,3-diamine
CID 83940188
2-(aminomethyl)-4-(2,4-dimethylphenyl)-3-methylbutan-1-ol
CID 83928000

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-ethoxy-5-methylphenyl)propan-2-yl]propane-1,3-diamine?
The IUPAC name of 2-[1-(2-ethoxy-5-methylphenyl)propan-2-yl]propane-1,3-diamine (CID 83933623) is 2-[1-(2-ethoxy-5-methylphenyl)propan-2-yl]propane-1,3-diamine.
What is the SMILES notation for 2-[1-(2-ethoxy-5-methylphenyl)propan-2-yl]propane-1,3-diamine?
The canonical SMILES for 2-[1-(2-ethoxy-5-methylphenyl)propan-2-yl]propane-1,3-diamine is CCOc1ccc(C)cc1CC(C)C(CN)CN.
What is the InChIKey of 2-[1-(2-ethoxy-5-methylphenyl)propan-2-yl]propane-1,3-diamine?
The InChIKey is OFSBPVPPUHVDQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O/c1-4-18-15-6-5-11(2)7-13(15)8-12(3)14(9-16)10-17/h5-7,12,14H,4,8-10,16-17H2,1-3H3.
What are the key properties of 2-[1-(2-ethoxy-5-methylphenyl)propan-2-yl]propane-1,3-diamine?
2-[1-(2-ethoxy-5-methylphenyl)propan-2-yl]propane-1,3-diamine has a molecular weight of 250.39 g/mol, XLogP of 2.11, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-ethoxy-5-methylphenyl)propan-2-yl]propane-1,3-diamine is sourced from PubChem (CID 83933623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).