2-(4-ethoxy-2,5-dimethylphenyl)-N-methylbutan-1-amine

C15H25NO — CID 112508260

IUPAC2-(4-ethoxy-2,5-dimethylphenyl)-N-methylbutan-1-amine
SMILESCCOc1cc(C)c(C(CC)CNC)cc1C
InChIInChI=1S/C15H25NO/c1-6-13(10-16-5)14-8-12(4)15(17-7-2)9-11(14)3/h8-9,13,16H,6-7,10H2,1-5H3
InChIKeyMKPWBKJXILVHOM-UHFFFAOYSA-N
MW235.37 g/mol
LogP3.42
Rot. Bonds6

About 2-(4-ethoxy-2,5-dimethylphenyl)-N-methylbutan-1-amine

2-(4-ethoxy-2,5-dimethylphenyl)-N-methylbutan-1-amine (PubChem CID 112508260) has the molecular formula C15H25NO and a molecular weight of 235.37 g/mol. Its IUPAC name is 2-(4-ethoxy-2,5-dimethylphenyl)-N-methylbutan-1-amine.

Molecular Properties

Compound Name2-(4-ethoxy-2,5-dimethylphenyl)-N-methylbutan-1-amine
PubChem CID112508260
Molecular FormulaC15H25NO
Molecular Weight235.37 g/mol
Exact Mass235.19
IUPAC Name2-(4-ethoxy-2,5-dimethylphenyl)-N-methylbutan-1-amine
SMILESCCOc1cc(C)c(C(CC)CNC)cc1C
InChIInChI=1S/C15H25NO/c1-6-13(10-16-5)14-8-12(4)15(17-7-2)9-11(14)3/h8-9,13,16H,6-7,10H2,1-5H3
InChIKeyMKPWBKJXILVHOM-UHFFFAOYSA-N
XLogP3.42
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-ethoxy-2,5-dimethylphenyl)-2-methoxy-N-methylethanamine
CID 112512308
1-ethoxy-4-hex-5-yn-3-yl-2,5-dimethylbenzene
CID 83940871
2-(5-chloro-2-methoxy-4-methylphenyl)-N-methylbutan-1-amine
CID 116964692
N-methyl-2-(6-methyl-1,3-benzodioxol-5-yl)butan-1-amine
CID 116964754
1-(4-ethoxy-2,5-dimethylphenyl)-2-(propan-2-ylamino)ethanol
CID 112510507
1-(4-ethoxy-2,5-dimethylphenyl)ethane-1,2-diol
CID 82284052
3-(methylamino)-2-(2,4,5-trimethylphenyl)propan-1-ol
CID 116835502
2-[(4-ethoxy-3-methylphenyl)methyl]-N-methylbutan-1-amine
CID 116931822
2-(4-methoxy-2,5-dimethylphenyl)butan-1-amine
CID 82077546
2-(4-methoxy-2,5-dimethylphenyl)butan-1-ol
CID 82077691
2-(4-ethoxy-2,5-dimethylphenyl)-2-(ethylamino)ethanol
CID 112512309
1-(4-ethoxy-2,5-dimethylphenyl)-N,N-dimethylpropane-1,3-diamine
CID 112518773

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethoxy-2,5-dimethylphenyl)-N-methylbutan-1-amine?
The IUPAC name of 2-(4-ethoxy-2,5-dimethylphenyl)-N-methylbutan-1-amine (CID 112508260) is 2-(4-ethoxy-2,5-dimethylphenyl)-N-methylbutan-1-amine.
What is the SMILES notation for 2-(4-ethoxy-2,5-dimethylphenyl)-N-methylbutan-1-amine?
The canonical SMILES for 2-(4-ethoxy-2,5-dimethylphenyl)-N-methylbutan-1-amine is CCOc1cc(C)c(C(CC)CNC)cc1C.
What is the InChIKey of 2-(4-ethoxy-2,5-dimethylphenyl)-N-methylbutan-1-amine?
The InChIKey is MKPWBKJXILVHOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO/c1-6-13(10-16-5)14-8-12(4)15(17-7-2)9-11(14)3/h8-9,13,16H,6-7,10H2,1-5H3.
What are the key properties of 2-(4-ethoxy-2,5-dimethylphenyl)-N-methylbutan-1-amine?
2-(4-ethoxy-2,5-dimethylphenyl)-N-methylbutan-1-amine has a molecular weight of 235.37 g/mol, XLogP of 3.42, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethoxy-2,5-dimethylphenyl)-N-methylbutan-1-amine is sourced from PubChem (CID 112508260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).