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

C14H23NO3 — CID 62449737

IUPAC2-(3,5-dimethoxyphenoxy)-N-ethylbutan-1-amine
SMILESCCNCC(CC)Oc1cc(OC)cc(OC)c1
InChIInChI=1S/C14H23NO3/c1-5-11(10-15-6-2)18-14-8-12(16-3)7-13(9-14)17-4/h7-9,11,15H,5-6,10H2,1-4H3
InChIKeyGIJCTCNMJORQNX-UHFFFAOYSA-N
MW253.34 g/mol
LogP2.47
Rot. Bonds8

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

2-(3,5-dimethoxyphenoxy)-N-ethylbutan-1-amine (PubChem CID 62449737) has the molecular formula C14H23NO3 and a molecular weight of 253.34 g/mol. Its IUPAC name is 2-(3,5-dimethoxyphenoxy)-N-ethylbutan-1-amine.

Molecular Properties

Compound Name2-(3,5-dimethoxyphenoxy)-N-ethylbutan-1-amine
PubChem CID62449737
Molecular FormulaC14H23NO3
Molecular Weight253.34 g/mol
Exact Mass253.17
IUPAC Name2-(3,5-dimethoxyphenoxy)-N-ethylbutan-1-amine
SMILESCCNCC(CC)Oc1cc(OC)cc(OC)c1
InChIInChI=1S/C14H23NO3/c1-5-11(10-15-6-2)18-14-8-12(16-3)7-13(9-14)17-4/h7-9,11,15H,5-6,10H2,1-4H3
InChIKeyGIJCTCNMJORQNX-UHFFFAOYSA-N
XLogP2.47
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.34
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3,5-dimethylphenoxy)-N-ethylbutan-1-amine
CID 62454791
2-(3,5-dichlorophenoxy)-N-ethylbutan-1-amine
CID 62485923
N-ethyl-3-methoxy-2-(3-methoxyphenoxy)propan-1-amine
CID 103228176
2-(3,4-difluorophenoxy)-N-ethylbutan-1-amine
CID 62485732
N-ethyl-2-(3-methylphenoxy)butan-1-amine
CID 54798641
N-ethyl-2-(3-fluorophenoxy)butan-1-amine
CID 62459043
N-ethyl-2-(3-methylsulfonylphenoxy)butan-1-amine
CID 62486290
N-ethyl-2-[(3-methoxyphenyl)methoxy]butan-1-amine
CID 55072812
N-ethyl-2-(4-methylsulfonylphenoxy)butan-1-amine
CID 62485042
3-methoxy-5-pentan-3-yloxybenzoic acid
CID 21061969
2-(4-chloro-3,5-dimethylphenoxy)-N-ethylpentan-1-amine
CID 83046354
2-(2-bromo-4-methoxyphenoxy)-N-(2-methylpropyl)butan-1-amine
CID 104708465

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethoxyphenoxy)-N-ethylbutan-1-amine?
The IUPAC name of 2-(3,5-dimethoxyphenoxy)-N-ethylbutan-1-amine (CID 62449737) is 2-(3,5-dimethoxyphenoxy)-N-ethylbutan-1-amine.
What is the SMILES notation for 2-(3,5-dimethoxyphenoxy)-N-ethylbutan-1-amine?
The canonical SMILES for 2-(3,5-dimethoxyphenoxy)-N-ethylbutan-1-amine is CCNCC(CC)Oc1cc(OC)cc(OC)c1.
What is the InChIKey of 2-(3,5-dimethoxyphenoxy)-N-ethylbutan-1-amine?
The InChIKey is GIJCTCNMJORQNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO3/c1-5-11(10-15-6-2)18-14-8-12(16-3)7-13(9-14)17-4/h7-9,11,15H,5-6,10H2,1-4H3.
What are the key properties of 2-(3,5-dimethoxyphenoxy)-N-ethylbutan-1-amine?
2-(3,5-dimethoxyphenoxy)-N-ethylbutan-1-amine has a molecular weight of 253.34 g/mol, XLogP of 2.47, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethoxyphenoxy)-N-ethylbutan-1-amine is sourced from PubChem (CID 62449737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).