3-ethoxy-1-(2-methoxy-5-methylphenyl)hexan-2-amine

C16H27NO2 — CID 116717547

IUPAC3-ethoxy-1-(2-methoxy-5-methylphenyl)hexan-2-amine
SMILESCCCC(OCC)C(N)Cc1cc(C)ccc1OC
InChIInChI=1S/C16H27NO2/c1-5-7-16(19-6-2)14(17)11-13-10-12(3)8-9-15(13)18-4/h8-10,14,16H,5-7,11,17H2,1-4H3
InChIKeyOUWLFSVLHWVOCH-UHFFFAOYSA-N
MW265.40 g/mol
LogP3.08
Rot. Bonds8

About 3-ethoxy-1-(2-methoxy-5-methylphenyl)hexan-2-amine

3-ethoxy-1-(2-methoxy-5-methylphenyl)hexan-2-amine (PubChem CID 116717547) has the molecular formula C16H27NO2 and a molecular weight of 265.40 g/mol. Its IUPAC name is 3-ethoxy-1-(2-methoxy-5-methylphenyl)hexan-2-amine.

Molecular Properties

Compound Name3-ethoxy-1-(2-methoxy-5-methylphenyl)hexan-2-amine
PubChem CID116717547
Molecular FormulaC16H27NO2
Molecular Weight265.40 g/mol
Exact Mass265.20
IUPAC Name3-ethoxy-1-(2-methoxy-5-methylphenyl)hexan-2-amine
SMILESCCCC(OCC)C(N)Cc1cc(C)ccc1OC
InChIInChI=1S/C16H27NO2/c1-5-7-16(19-6-2)14(17)11-13-10-12(3)8-9-15(13)18-4/h8-10,14,16H,5-7,11,17H2,1-4H3
InChIKeyOUWLFSVLHWVOCH-UHFFFAOYSA-N
XLogP3.08
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1,1-diethoxy-3-(2-methoxy-5-methylphenyl)propan-2-amine
CID 79495090
[3-ethoxy-1-(2-methoxy-5-methylphenyl)pentan-2-yl]hydrazine
CID 105271132
1-(2-methoxy-5-methylphenyl)undecan-2-amine
CID 115826519
3-ethoxy-1-(2-methoxy-5-methylphenyl)-N-propylpentan-2-amine
CID 116717260
1-(2-methoxy-5-methylphenyl)hexane-2,3-diol
CID 103454840
1-(2-methoxy-5-methylphenyl)butan-2-amine;hydrochloride
CID 170889680
4,4,4-trifluoro-1-(2-methoxy-5-methylphenyl)-3-(trifluoromethyl)butan-2-amine
CID 103311787
3-amino-1-(2-methoxy-5-methylphenyl)heptan-2-one
CID 116556836
3-ethoxy-N-ethyl-1-(2-methoxy-5-methylphenyl)butan-2-amine
CID 64532794
1-(2-methoxy-5-methylphenyl)-5-methylhexan-2-amine
CID 55041467
(2R)-2-ethoxy-3-(2-methoxy-5-methylphenyl)propanoic acid
CID 100546885
butane;1-methoxy-4-methyl-2-(2-methylbutyl)benzene
CID 144898289

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-1-(2-methoxy-5-methylphenyl)hexan-2-amine?
The IUPAC name of 3-ethoxy-1-(2-methoxy-5-methylphenyl)hexan-2-amine (CID 116717547) is 3-ethoxy-1-(2-methoxy-5-methylphenyl)hexan-2-amine.
What is the SMILES notation for 3-ethoxy-1-(2-methoxy-5-methylphenyl)hexan-2-amine?
The canonical SMILES for 3-ethoxy-1-(2-methoxy-5-methylphenyl)hexan-2-amine is CCCC(OCC)C(N)Cc1cc(C)ccc1OC.
What is the InChIKey of 3-ethoxy-1-(2-methoxy-5-methylphenyl)hexan-2-amine?
The InChIKey is OUWLFSVLHWVOCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO2/c1-5-7-16(19-6-2)14(17)11-13-10-12(3)8-9-15(13)18-4/h8-10,14,16H,5-7,11,17H2,1-4H3.
What are the key properties of 3-ethoxy-1-(2-methoxy-5-methylphenyl)hexan-2-amine?
3-ethoxy-1-(2-methoxy-5-methylphenyl)hexan-2-amine has a molecular weight of 265.40 g/mol, XLogP of 3.08, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-1-(2-methoxy-5-methylphenyl)hexan-2-amine is sourced from PubChem (CID 116717547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).