4-(3,4-dimethylphenoxy)-N-ethylpentan-2-amine

C15H25NO — CID 64707887

IUPAC4-(3,4-dimethylphenoxy)-N-ethylpentan-2-amine
SMILESCCNC(C)CC(C)Oc1ccc(C)c(C)c1
InChIInChI=1S/C15H25NO/c1-6-16-13(4)10-14(5)17-15-8-7-11(2)12(3)9-15/h7-9,13-14,16H,6,10H2,1-5H3
InChIKeyZBCCMJYDDPFFFT-UHFFFAOYSA-N
MW235.37 g/mol
LogP3.46
Rot. Bonds6

About 4-(3,4-dimethylphenoxy)-N-ethylpentan-2-amine

4-(3,4-dimethylphenoxy)-N-ethylpentan-2-amine (PubChem CID 64707887) has the molecular formula C15H25NO and a molecular weight of 235.37 g/mol. Its IUPAC name is 4-(3,4-dimethylphenoxy)-N-ethylpentan-2-amine.

Molecular Properties

Compound Name4-(3,4-dimethylphenoxy)-N-ethylpentan-2-amine
PubChem CID64707887
Molecular FormulaC15H25NO
Molecular Weight235.37 g/mol
Exact Mass235.19
IUPAC Name4-(3,4-dimethylphenoxy)-N-ethylpentan-2-amine
SMILESCCNC(C)CC(C)Oc1ccc(C)c(C)c1
InChIInChI=1S/C15H25NO/c1-6-16-13(4)10-14(5)17-15-8-7-11(2)12(3)9-15/h7-9,13-14,16H,6,10H2,1-5H3
InChIKeyZBCCMJYDDPFFFT-UHFFFAOYSA-N
XLogP3.46
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 ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(3,4-dimethylphenoxy)propyl]butan-2-amine
CID 55092854
2-(3,4-dimethylphenoxy)propan-1-amine
CID 17169740
4-(3-tert-butylphenoxy)-N-ethylpentan-2-amine
CID 64706884
2-(3,4-dimethylphenoxy)-N-(3-ethoxypropyl)propan-1-amine
CID 62572748
4-(3,5-dimethylphenoxy)-N-propylpentan-2-amine
CID 64708090
N-propyl-4-(5,6,7,8-tetrahydronaphthalen-2-yloxy)pentan-2-amine
CID 64718686
2-(3,4-dimethylphenoxy)-N-ethyl-3-methylbutan-1-amine
CID 62453580
N-propyl-4-(4-propylphenoxy)pentan-2-amine
CID 64719580
2-(3,4-dimethylphenoxy)-N-prop-2-ynylpropan-1-amine
CID 62573056
N-[2-(3-methyl-4-propan-2-ylphenoxy)propyl]pentan-2-amine
CID 63505904
4-(3,4-dimethylphenyl)-N-ethyl-4-methylpentan-2-amine
CID 64715126
N-ethyl-1-(3-fluoro-4-methylphenoxy)propan-2-amine
CID 107168983

Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dimethylphenoxy)-N-ethylpentan-2-amine?
The IUPAC name of 4-(3,4-dimethylphenoxy)-N-ethylpentan-2-amine (CID 64707887) is 4-(3,4-dimethylphenoxy)-N-ethylpentan-2-amine.
What is the SMILES notation for 4-(3,4-dimethylphenoxy)-N-ethylpentan-2-amine?
The canonical SMILES for 4-(3,4-dimethylphenoxy)-N-ethylpentan-2-amine is CCNC(C)CC(C)Oc1ccc(C)c(C)c1.
What is the InChIKey of 4-(3,4-dimethylphenoxy)-N-ethylpentan-2-amine?
The InChIKey is ZBCCMJYDDPFFFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO/c1-6-16-13(4)10-14(5)17-15-8-7-11(2)12(3)9-15/h7-9,13-14,16H,6,10H2,1-5H3.
What are the key properties of 4-(3,4-dimethylphenoxy)-N-ethylpentan-2-amine?
4-(3,4-dimethylphenoxy)-N-ethylpentan-2-amine has a molecular weight of 235.37 g/mol, XLogP of 3.46, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dimethylphenoxy)-N-ethylpentan-2-amine is sourced from PubChem (CID 64707887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).