2-(3,5-dimethylphenoxy)-N-ethylbutan-1-amine

C14H23NO — CID 62454791

IUPAC2-(3,5-dimethylphenoxy)-N-ethylbutan-1-amine
SMILESCCNCC(CC)Oc1cc(C)cc(C)c1
InChIInChI=1S/C14H23NO/c1-5-13(10-15-6-2)16-14-8-11(3)7-12(4)9-14/h7-9,13,15H,5-6,10H2,1-4H3
InChIKeyOCMFQCAQMACHME-UHFFFAOYSA-N
MW221.34 g/mol
LogP3.07
Rot. Bonds6

About 2-(3,5-dimethylphenoxy)-N-ethylbutan-1-amine

2-(3,5-dimethylphenoxy)-N-ethylbutan-1-amine (PubChem CID 62454791) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is 2-(3,5-dimethylphenoxy)-N-ethylbutan-1-amine.

Molecular Properties

Compound Name2-(3,5-dimethylphenoxy)-N-ethylbutan-1-amine
PubChem CID62454791
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC Name2-(3,5-dimethylphenoxy)-N-ethylbutan-1-amine
SMILESCCNCC(CC)Oc1cc(C)cc(C)c1
InChIInChI=1S/C14H23NO/c1-5-13(10-15-6-2)16-14-8-11(3)7-12(4)9-14/h7-9,13,15H,5-6,10H2,1-4H3
InChIKeyOCMFQCAQMACHME-UHFFFAOYSA-N
XLogP3.07
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.34
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-2-(3-methylphenoxy)butan-1-amine
CID 54798641
2-(3,5-dimethoxyphenoxy)-N-ethylbutan-1-amine
CID 62449737
2-(3,5-dichlorophenoxy)-N-ethylbutan-1-amine
CID 62485923
2-(3,4-difluorophenoxy)-N-ethylbutan-1-amine
CID 62485732
N-ethyl-2-(3-fluorophenoxy)butan-1-amine
CID 62459043
N-ethyl-2-(3-methylsulfonylphenoxy)butan-1-amine
CID 62486290
3-(3,5-dimethylphenoxy)pentanenitrile
CID 43367769
2-(4-chloro-3,5-dimethylphenoxy)-N-ethylpentan-1-amine
CID 83046354
N-ethyl-2-(4-methylsulfonylphenoxy)butan-1-amine
CID 62485042
2-(5-bromo-2-methylphenoxy)-N-ethylbutan-1-amine
CID 107286034
2-(3,5-dimethylphenoxy)-N-propan-2-ylpentan-1-amine
CID 83044144
2-(3,5-dimethylphenoxy)propylhydrazine
CID 82281841

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethylphenoxy)-N-ethylbutan-1-amine?
The IUPAC name of 2-(3,5-dimethylphenoxy)-N-ethylbutan-1-amine (CID 62454791) is 2-(3,5-dimethylphenoxy)-N-ethylbutan-1-amine.
What is the SMILES notation for 2-(3,5-dimethylphenoxy)-N-ethylbutan-1-amine?
The canonical SMILES for 2-(3,5-dimethylphenoxy)-N-ethylbutan-1-amine is CCNCC(CC)Oc1cc(C)cc(C)c1.
What is the InChIKey of 2-(3,5-dimethylphenoxy)-N-ethylbutan-1-amine?
The InChIKey is OCMFQCAQMACHME-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO/c1-5-13(10-15-6-2)16-14-8-11(3)7-12(4)9-14/h7-9,13,15H,5-6,10H2,1-4H3.
What are the key properties of 2-(3,5-dimethylphenoxy)-N-ethylbutan-1-amine?
2-(3,5-dimethylphenoxy)-N-ethylbutan-1-amine has a molecular weight of 221.34 g/mol, XLogP of 3.07, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethylphenoxy)-N-ethylbutan-1-amine is sourced from PubChem (CID 62454791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).