4-(4-methoxyphenoxy)cyclohexan-1-amine

C13H19NO2 — CID 16756065

IUPAC4-(4-methoxyphenoxy)cyclohexan-1-amine
SMILESCOc1ccc(OC2CCC(N)CC2)cc1
InChIInChI=1S/C13H19NO2/c1-15-11-6-8-13(9-7-11)16-12-4-2-10(14)3-5-12/h6-10,12H,2-5,14H2,1H3
InChIKeyIULDHLAIGWJJOM-UHFFFAOYSA-N
MW221.30 g/mol
LogP2.34
Rot. Bonds3

About 4-(4-methoxyphenoxy)cyclohexan-1-amine

4-(4-methoxyphenoxy)cyclohexan-1-amine (PubChem CID 16756065) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is 4-(4-methoxyphenoxy)cyclohexan-1-amine.

Molecular Properties

Compound Name4-(4-methoxyphenoxy)cyclohexan-1-amine
PubChem CID16756065
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC Name4-(4-methoxyphenoxy)cyclohexan-1-amine
SMILESCOc1ccc(OC2CCC(N)CC2)cc1
InChIInChI=1S/C13H19NO2/c1-15-11-6-8-13(9-7-11)16-12-4-2-10(14)3-5-12/h6-10,12H,2-5,14H2,1H3
InChIKeyIULDHLAIGWJJOM-UHFFFAOYSA-N
XLogP2.34
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxyphenoxy)cyclohexan-1-amine?
The IUPAC name of 4-(4-methoxyphenoxy)cyclohexan-1-amine (CID 16756065) is 4-(4-methoxyphenoxy)cyclohexan-1-amine.
What is the SMILES notation for 4-(4-methoxyphenoxy)cyclohexan-1-amine?
The canonical SMILES for 4-(4-methoxyphenoxy)cyclohexan-1-amine is COc1ccc(OC2CCC(N)CC2)cc1.
What is the InChIKey of 4-(4-methoxyphenoxy)cyclohexan-1-amine?
The InChIKey is IULDHLAIGWJJOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2/c1-15-11-6-8-13(9-7-11)16-12-4-2-10(14)3-5-12/h6-10,12H,2-5,14H2,1H3.
What are the key properties of 4-(4-methoxyphenoxy)cyclohexan-1-amine?
4-(4-methoxyphenoxy)cyclohexan-1-amine has a molecular weight of 221.30 g/mol, XLogP of 2.34, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxyphenoxy)cyclohexan-1-amine is sourced from PubChem (CID 16756065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).