4-ethoxy-1-(4-methoxyphenyl)-4-methylhexan-3-amine

C16H27NO2 — CID 116758401

IUPAC4-ethoxy-1-(4-methoxyphenyl)-4-methylhexan-3-amine
SMILESCCOC(C)(CC)C(N)CCc1ccc(OC)cc1
InChIInChI=1S/C16H27NO2/c1-5-16(3,19-6-2)15(17)12-9-13-7-10-14(18-4)11-8-13/h7-8,10-11,15H,5-6,9,12,17H2,1-4H3
InChIKeyKZXQAUDTUKOHKT-UHFFFAOYSA-N
MW265.40 g/mol
LogP3.16
Rot. Bonds8

About 4-ethoxy-1-(4-methoxyphenyl)-4-methylhexan-3-amine

4-ethoxy-1-(4-methoxyphenyl)-4-methylhexan-3-amine (PubChem CID 116758401) has the molecular formula C16H27NO2 and a molecular weight of 265.40 g/mol. Its IUPAC name is 4-ethoxy-1-(4-methoxyphenyl)-4-methylhexan-3-amine.

Molecular Properties

Compound Name4-ethoxy-1-(4-methoxyphenyl)-4-methylhexan-3-amine
PubChem CID116758401
Molecular FormulaC16H27NO2
Molecular Weight265.40 g/mol
Exact Mass265.20
IUPAC Name4-ethoxy-1-(4-methoxyphenyl)-4-methylhexan-3-amine
SMILESCCOC(C)(CC)C(N)CCc1ccc(OC)cc1
InChIInChI=1S/C16H27NO2/c1-5-16(3,19-6-2)15(17)12-9-13-7-10-14(18-4)11-8-13/h7-8,10-11,15H,5-6,9,12,17H2,1-4H3
InChIKeyKZXQAUDTUKOHKT-UHFFFAOYSA-N
XLogP3.16
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 ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-1-(4-methoxyphenyl)-4-methylhexan-3-amine?
The IUPAC name of 4-ethoxy-1-(4-methoxyphenyl)-4-methylhexan-3-amine (CID 116758401) is 4-ethoxy-1-(4-methoxyphenyl)-4-methylhexan-3-amine.
What is the SMILES notation for 4-ethoxy-1-(4-methoxyphenyl)-4-methylhexan-3-amine?
The canonical SMILES for 4-ethoxy-1-(4-methoxyphenyl)-4-methylhexan-3-amine is CCOC(C)(CC)C(N)CCc1ccc(OC)cc1.
What is the InChIKey of 4-ethoxy-1-(4-methoxyphenyl)-4-methylhexan-3-amine?
The InChIKey is KZXQAUDTUKOHKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO2/c1-5-16(3,19-6-2)15(17)12-9-13-7-10-14(18-4)11-8-13/h7-8,10-11,15H,5-6,9,12,17H2,1-4H3.
What are the key properties of 4-ethoxy-1-(4-methoxyphenyl)-4-methylhexan-3-amine?
4-ethoxy-1-(4-methoxyphenyl)-4-methylhexan-3-amine has a molecular weight of 265.40 g/mol, XLogP of 3.16, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-1-(4-methoxyphenyl)-4-methylhexan-3-amine is sourced from PubChem (CID 116758401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).