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

C16H27NO2 — CID 116758615

IUPAC3-ethoxy-1-(2-methoxy-5-methylphenyl)-3-methylpentan-2-amine
SMILESCCOC(C)(CC)C(N)Cc1cc(C)ccc1OC
InChIInChI=1S/C16H27NO2/c1-6-16(4,19-7-2)15(17)11-13-10-12(3)8-9-14(13)18-5/h8-10,15H,6-7,11,17H2,1-5H3
InChIKeyAYZYQFPXSZFKAA-UHFFFAOYSA-N
MW265.40 g/mol
LogP3.08
Rot. Bonds7

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

3-ethoxy-1-(2-methoxy-5-methylphenyl)-3-methylpentan-2-amine (PubChem CID 116758615) 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)-3-methylpentan-2-amine.

Molecular Properties

Compound Name3-ethoxy-1-(2-methoxy-5-methylphenyl)-3-methylpentan-2-amine
PubChem CID116758615
Molecular FormulaC16H27NO2
Molecular Weight265.40 g/mol
Exact Mass265.20
IUPAC Name3-ethoxy-1-(2-methoxy-5-methylphenyl)-3-methylpentan-2-amine
SMILESCCOC(C)(CC)C(N)Cc1cc(C)ccc1OC
InChIInChI=1S/C16H27NO2/c1-6-16(4,19-7-2)15(17)11-13-10-12(3)8-9-14(13)18-5/h8-10,15H,6-7,11,17H2,1-5H3
InChIKeyAYZYQFPXSZFKAA-UHFFFAOYSA-N
XLogP3.08
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
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
1-(2-methoxy-5-methylphenyl)butan-2-amine;hydrochloride
CID 170889680
1-(5-bromo-2-methoxyphenyl)-3-ethoxy-3-ethylpentan-2-amine
CID 116759645
4,4,4-trifluoro-1-(2-methoxy-5-methylphenyl)-3-(trifluoromethyl)butan-2-amine
CID 103311787
[1-(2-methoxy-5-methylphenyl)-3,3-dimethylbutan-2-yl]hydrazine
CID 105203112
3-ethyl-1-(2-methoxy-5-methylphenyl)pentan-2-ol
CID 63895461
3-amino-1-(2-methoxy-5-methylphenyl)-4,4-dimethylpentan-2-one
CID 116611554
1-(2-methoxy-5-methylphenyl)undecan-2-amine
CID 115826519
1-(3,4-dimethylphenyl)-3-(2-methoxy-5-methylphenyl)propan-2-amine
CID 62899800
3-ethoxy-1-(2-methoxy-5-methylphenyl)hexan-2-amine
CID 116717547
1-(2-methoxy-5-methylphenyl)-5-methylhexan-2-amine
CID 55041467
1,1-diethoxy-3-(2-methoxy-5-methylphenyl)propan-2-one
CID 79495074

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-1-(2-methoxy-5-methylphenyl)-3-methylpentan-2-amine?
The IUPAC name of 3-ethoxy-1-(2-methoxy-5-methylphenyl)-3-methylpentan-2-amine (CID 116758615) is 3-ethoxy-1-(2-methoxy-5-methylphenyl)-3-methylpentan-2-amine.
What is the SMILES notation for 3-ethoxy-1-(2-methoxy-5-methylphenyl)-3-methylpentan-2-amine?
The canonical SMILES for 3-ethoxy-1-(2-methoxy-5-methylphenyl)-3-methylpentan-2-amine is CCOC(C)(CC)C(N)Cc1cc(C)ccc1OC.
What is the InChIKey of 3-ethoxy-1-(2-methoxy-5-methylphenyl)-3-methylpentan-2-amine?
The InChIKey is AYZYQFPXSZFKAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO2/c1-6-16(4,19-7-2)15(17)11-13-10-12(3)8-9-14(13)18-5/h8-10,15H,6-7,11,17H2,1-5H3.
What are the key properties of 3-ethoxy-1-(2-methoxy-5-methylphenyl)-3-methylpentan-2-amine?
3-ethoxy-1-(2-methoxy-5-methylphenyl)-3-methylpentan-2-amine has a molecular weight of 265.40 g/mol, XLogP of 3.08, 7 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)-3-methylpentan-2-amine is sourced from PubChem (CID 116758615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).