6-(3,5-dimethoxyphenoxy)-N-ethylhexan-3-amine

C16H27NO3 — CID 106800899

IUPAC6-(3,5-dimethoxyphenoxy)-N-ethylhexan-3-amine
SMILESCCNC(CC)CCCOc1cc(OC)cc(OC)c1
InChIInChI=1S/C16H27NO3/c1-5-13(17-6-2)8-7-9-20-16-11-14(18-3)10-15(12-16)19-4/h10-13,17H,5-9H2,1-4H3
InChIKeyWPFRWDCNNLJSEH-UHFFFAOYSA-N
MW281.40 g/mol
LogP3.25
Rot. Bonds10

About 6-(3,5-dimethoxyphenoxy)-N-ethylhexan-3-amine

6-(3,5-dimethoxyphenoxy)-N-ethylhexan-3-amine (PubChem CID 106800899) has the molecular formula C16H27NO3 and a molecular weight of 281.40 g/mol. Its IUPAC name is 6-(3,5-dimethoxyphenoxy)-N-ethylhexan-3-amine.

Molecular Properties

Compound Name6-(3,5-dimethoxyphenoxy)-N-ethylhexan-3-amine
PubChem CID106800899
Molecular FormulaC16H27NO3
Molecular Weight281.40 g/mol
Exact Mass281.20
IUPAC Name6-(3,5-dimethoxyphenoxy)-N-ethylhexan-3-amine
SMILESCCNC(CC)CCCOc1cc(OC)cc(OC)c1
InChIInChI=1S/C16H27NO3/c1-5-13(17-6-2)8-7-9-20-16-11-14(18-3)10-15(12-16)19-4/h10-13,17H,5-9H2,1-4H3
InChIKeyWPFRWDCNNLJSEH-UHFFFAOYSA-N
XLogP3.25
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

6-(3,5-dimethylphenoxy)-N-ethylhexan-3-amine
CID 106800724
4-(3,5-dimethoxyphenoxy)-N-ethylbutan-2-amine
CID 55135933
4-(3,5-dimethoxyphenoxy)-2-(ethylamino)butanenitrile
CID 55168643
6-(4-tert-butylphenoxy)-N-ethylhexan-3-amine
CID 106800707
N-ethyl-6-quinolin-7-yloxyhexan-3-amine
CID 107313514
5-(3,5-dimethoxyphenoxy)pentan-2-amine
CID 55137875
1-butoxy-3-methoxy-5-methylbenzene
CID 118268625
5-(3-bromophenoxy)-N-ethyl-1-methoxypentan-2-amine
CID 62319836
N-ethyl-6-pentoxyhexan-3-amine
CID 106800895
N,7-diethylnonan-3-amine
CID 82925508
1,3-dimethoxy-5-(2-propan-2-yloxyethoxy)benzene
CID 89483792
N-ethyl-6-methyl-1-phenoxyheptan-4-amine
CID 78918808

Frequently Asked Questions

What is the IUPAC name of 6-(3,5-dimethoxyphenoxy)-N-ethylhexan-3-amine?
The IUPAC name of 6-(3,5-dimethoxyphenoxy)-N-ethylhexan-3-amine (CID 106800899) is 6-(3,5-dimethoxyphenoxy)-N-ethylhexan-3-amine.
What is the SMILES notation for 6-(3,5-dimethoxyphenoxy)-N-ethylhexan-3-amine?
The canonical SMILES for 6-(3,5-dimethoxyphenoxy)-N-ethylhexan-3-amine is CCNC(CC)CCCOc1cc(OC)cc(OC)c1.
What is the InChIKey of 6-(3,5-dimethoxyphenoxy)-N-ethylhexan-3-amine?
The InChIKey is WPFRWDCNNLJSEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO3/c1-5-13(17-6-2)8-7-9-20-16-11-14(18-3)10-15(12-16)19-4/h10-13,17H,5-9H2,1-4H3.
What are the key properties of 6-(3,5-dimethoxyphenoxy)-N-ethylhexan-3-amine?
6-(3,5-dimethoxyphenoxy)-N-ethylhexan-3-amine has a molecular weight of 281.40 g/mol, XLogP of 3.25, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,5-dimethoxyphenoxy)-N-ethylhexan-3-amine is sourced from PubChem (CID 106800899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).