1-(4-ethoxy-2,5-dimethylphenyl)-N,N-dimethylpropane-1,3-diamine

C15H26N2O — CID 112518773

IUPAC1-(4-ethoxy-2,5-dimethylphenyl)-N,N-dimethylpropane-1,3-diamine
SMILESCCOc1cc(C)c(C(CCN)N(C)C)cc1C
InChIInChI=1S/C15H26N2O/c1-6-18-15-10-11(2)13(9-12(15)3)14(7-8-16)17(4)5/h9-10,14H,6-8,16H2,1-5H3
InChIKeySWRYJMBWUWHELG-UHFFFAOYSA-N
MW250.39 g/mol
LogP2.65
Rot. Bonds6

About 1-(4-ethoxy-2,5-dimethylphenyl)-N,N-dimethylpropane-1,3-diamine

1-(4-ethoxy-2,5-dimethylphenyl)-N,N-dimethylpropane-1,3-diamine (PubChem CID 112518773) has the molecular formula C15H26N2O and a molecular weight of 250.39 g/mol. Its IUPAC name is 1-(4-ethoxy-2,5-dimethylphenyl)-N,N-dimethylpropane-1,3-diamine.

Molecular Properties

Compound Name1-(4-ethoxy-2,5-dimethylphenyl)-N,N-dimethylpropane-1,3-diamine
PubChem CID112518773
Molecular FormulaC15H26N2O
Molecular Weight250.39 g/mol
Exact Mass250.20
IUPAC Name1-(4-ethoxy-2,5-dimethylphenyl)-N,N-dimethylpropane-1,3-diamine
SMILESCCOc1cc(C)c(C(CCN)N(C)C)cc1C
InChIInChI=1S/C15H26N2O/c1-6-18-15-10-11(2)13(9-12(15)3)14(7-8-16)17(4)5/h9-10,14H,6-8,16H2,1-5H3
InChIKeySWRYJMBWUWHELG-UHFFFAOYSA-N
XLogP2.65
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-ethoxy-3-methylphenyl)-1-N,1-N-dimethylpentane-1,4-diamine
CID 116905584
1-(2-methoxy-4,5-dimethylphenyl)-N,N-dimethylethane-1,2-diamine
CID 82286999
1-(4-ethoxy-2,5-dimethylphenyl)ethane-1,2-diol
CID 82284052
1-amino-4-(4-ethoxy-2,5-dimethylphenyl)pentan-2-ol
CID 83940901
1-(4-ethoxy-3-methylphenyl)propane-1,3-diamine
CID 116932779
2-(4-ethoxy-2,5-dimethylphenyl)-N-methylbutan-1-amine
CID 112508260
4-(4-ethoxy-2,5-dimethylphenyl)-4-hydroxybutanamide
CID 112510492
3-(4-methoxy-2,5-dimethylphenyl)butan-1-amine
CID 82077547
2-(4-ethoxy-2,5-dimethylphenyl)-2-(ethylamino)ethanol
CID 112512309
2-(4-ethoxy-2,5-dimethylphenyl)-2-methoxy-N-methylethanamine
CID 112512308
4-(2,5-dimethyl-4-propoxyphenyl)heptan-1-amine
CID 83940931
1-(2-ethoxy-4,5-dimethylphenyl)ethane-1,2-diamine
CID 66516824

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethoxy-2,5-dimethylphenyl)-N,N-dimethylpropane-1,3-diamine?
The IUPAC name of 1-(4-ethoxy-2,5-dimethylphenyl)-N,N-dimethylpropane-1,3-diamine (CID 112518773) is 1-(4-ethoxy-2,5-dimethylphenyl)-N,N-dimethylpropane-1,3-diamine.
What is the SMILES notation for 1-(4-ethoxy-2,5-dimethylphenyl)-N,N-dimethylpropane-1,3-diamine?
The canonical SMILES for 1-(4-ethoxy-2,5-dimethylphenyl)-N,N-dimethylpropane-1,3-diamine is CCOc1cc(C)c(C(CCN)N(C)C)cc1C.
What is the InChIKey of 1-(4-ethoxy-2,5-dimethylphenyl)-N,N-dimethylpropane-1,3-diamine?
The InChIKey is SWRYJMBWUWHELG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O/c1-6-18-15-10-11(2)13(9-12(15)3)14(7-8-16)17(4)5/h9-10,14H,6-8,16H2,1-5H3.
What are the key properties of 1-(4-ethoxy-2,5-dimethylphenyl)-N,N-dimethylpropane-1,3-diamine?
1-(4-ethoxy-2,5-dimethylphenyl)-N,N-dimethylpropane-1,3-diamine has a molecular weight of 250.39 g/mol, XLogP of 2.65, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethoxy-2,5-dimethylphenyl)-N,N-dimethylpropane-1,3-diamine is sourced from PubChem (CID 112518773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).