2-(4-methoxyphenoxy)-N,3,5-trimethylcyclohexan-1-amine

C16H25NO2 — CID 64751193

IUPAC2-(4-methoxyphenoxy)-N,3,5-trimethylcyclohexan-1-amine
SMILESCNC1CC(C)CC(C)C1Oc1ccc(OC)cc1
InChIInChI=1S/C16H25NO2/c1-11-9-12(2)16(15(10-11)17-3)19-14-7-5-13(18-4)6-8-14/h5-8,11-12,15-17H,9-10H2,1-4H3
InChIKeyHIRKTDGAFGPYPI-UHFFFAOYSA-N
MW263.38 g/mol
LogP3.10
Rot. Bonds4

About 2-(4-methoxyphenoxy)-N,3,5-trimethylcyclohexan-1-amine

2-(4-methoxyphenoxy)-N,3,5-trimethylcyclohexan-1-amine (PubChem CID 64751193) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is 2-(4-methoxyphenoxy)-N,3,5-trimethylcyclohexan-1-amine.

Molecular Properties

Compound Name2-(4-methoxyphenoxy)-N,3,5-trimethylcyclohexan-1-amine
PubChem CID64751193
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Name2-(4-methoxyphenoxy)-N,3,5-trimethylcyclohexan-1-amine
SMILESCNC1CC(C)CC(C)C1Oc1ccc(OC)cc1
InChIInChI=1S/C16H25NO2/c1-11-9-12(2)16(15(10-11)17-3)19-14-7-5-13(18-4)6-8-14/h5-8,11-12,15-17H,9-10H2,1-4H3
InChIKeyHIRKTDGAFGPYPI-UHFFFAOYSA-N
XLogP3.10
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenoxy)-N,3,5-trimethylcyclohexan-1-amine?
The IUPAC name of 2-(4-methoxyphenoxy)-N,3,5-trimethylcyclohexan-1-amine (CID 64751193) is 2-(4-methoxyphenoxy)-N,3,5-trimethylcyclohexan-1-amine.
What is the SMILES notation for 2-(4-methoxyphenoxy)-N,3,5-trimethylcyclohexan-1-amine?
The canonical SMILES for 2-(4-methoxyphenoxy)-N,3,5-trimethylcyclohexan-1-amine is CNC1CC(C)CC(C)C1Oc1ccc(OC)cc1.
What is the InChIKey of 2-(4-methoxyphenoxy)-N,3,5-trimethylcyclohexan-1-amine?
The InChIKey is HIRKTDGAFGPYPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-11-9-12(2)16(15(10-11)17-3)19-14-7-5-13(18-4)6-8-14/h5-8,11-12,15-17H,9-10H2,1-4H3.
What are the key properties of 2-(4-methoxyphenoxy)-N,3,5-trimethylcyclohexan-1-amine?
2-(4-methoxyphenoxy)-N,3,5-trimethylcyclohexan-1-amine has a molecular weight of 263.38 g/mol, XLogP of 3.10, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenoxy)-N,3,5-trimethylcyclohexan-1-amine is sourced from PubChem (CID 64751193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).