4-(3,5-dimethoxyphenoxy)-N-ethylbutan-2-amine

C14H23NO3 — CID 55135933

IUPAC4-(3,5-dimethoxyphenoxy)-N-ethylbutan-2-amine
SMILESCCNC(C)CCOc1cc(OC)cc(OC)c1
InChIInChI=1S/C14H23NO3/c1-5-15-11(2)6-7-18-14-9-12(16-3)8-13(10-14)17-4/h8-11,15H,5-7H2,1-4H3
InChIKeyNUNMWWKGZZLVNV-UHFFFAOYSA-N
MW253.34 g/mol
LogP2.47
Rot. Bonds8

About 4-(3,5-dimethoxyphenoxy)-N-ethylbutan-2-amine

4-(3,5-dimethoxyphenoxy)-N-ethylbutan-2-amine (PubChem CID 55135933) has the molecular formula C14H23NO3 and a molecular weight of 253.34 g/mol. Its IUPAC name is 4-(3,5-dimethoxyphenoxy)-N-ethylbutan-2-amine.

Molecular Properties

Compound Name4-(3,5-dimethoxyphenoxy)-N-ethylbutan-2-amine
PubChem CID55135933
Molecular FormulaC14H23NO3
Molecular Weight253.34 g/mol
Exact Mass253.17
IUPAC Name4-(3,5-dimethoxyphenoxy)-N-ethylbutan-2-amine
SMILESCCNC(C)CCOc1cc(OC)cc(OC)c1
InChIInChI=1S/C14H23NO3/c1-5-15-11(2)6-7-18-14-9-12(16-3)8-13(10-14)17-4/h8-11,15H,5-7H2,1-4H3
InChIKeyNUNMWWKGZZLVNV-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

4-(3,5-dimethoxyphenoxy)-2-(ethylamino)butanenitrile
CID 55168643
6-(3,5-dimethoxyphenoxy)-N-ethylhexan-3-amine
CID 106800899
5-(3-ethoxyphenoxy)-N-ethylpentan-2-amine
CID 62337461
5-(3,5-dimethoxyphenoxy)pentan-2-amine
CID 55137875
1,3-dimethoxy-5-(2-propan-2-yloxyethoxy)benzene
CID 89483792
4-(3-ethoxyphenoxy)-N-propylbutan-2-amine
CID 62337664
N-ethyl-1-[4-(3-methylbutoxy)phenyl]propan-2-amine
CID 115494877
1-amino-4-(3,5-dimethoxyphenoxy)butan-2-ol
CID 64812927
1-(3,5-dimethoxyphenyl)-N-ethyl-4-methoxy-3-methylbutan-1-amine
CID 105168340
1-(3,5-dimethoxyphenoxy)propan-2-ylhydrazine
CID 112512172
1-(3,5-dimethoxyphenyl)-N-ethyl-3-(2-methoxyethoxy)propan-1-amine
CID 102928516
4-(3,5-dimethylphenoxy)-2-(ethylamino)butan-1-ol
CID 64802692

Frequently Asked Questions

What is the IUPAC name of 4-(3,5-dimethoxyphenoxy)-N-ethylbutan-2-amine?
The IUPAC name of 4-(3,5-dimethoxyphenoxy)-N-ethylbutan-2-amine (CID 55135933) is 4-(3,5-dimethoxyphenoxy)-N-ethylbutan-2-amine.
What is the SMILES notation for 4-(3,5-dimethoxyphenoxy)-N-ethylbutan-2-amine?
The canonical SMILES for 4-(3,5-dimethoxyphenoxy)-N-ethylbutan-2-amine is CCNC(C)CCOc1cc(OC)cc(OC)c1.
What is the InChIKey of 4-(3,5-dimethoxyphenoxy)-N-ethylbutan-2-amine?
The InChIKey is NUNMWWKGZZLVNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO3/c1-5-15-11(2)6-7-18-14-9-12(16-3)8-13(10-14)17-4/h8-11,15H,5-7H2,1-4H3.
What are the key properties of 4-(3,5-dimethoxyphenoxy)-N-ethylbutan-2-amine?
4-(3,5-dimethoxyphenoxy)-N-ethylbutan-2-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 4-(3,5-dimethoxyphenoxy)-N-ethylbutan-2-amine is sourced from PubChem (CID 55135933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).