1-[4-(2-methylprop-2-enoxy)phenyl]cyclohexan-1-amine

C16H23NO — CID 117366200

IUPAC1-[4-(2-methylprop-2-enoxy)phenyl]cyclohexan-1-amine
SMILESC=C(C)COc1ccc(C2(N)CCCCC2)cc1
InChIInChI=1S/C16H23NO/c1-13(2)12-18-15-8-6-14(7-9-15)16(17)10-4-3-5-11-16/h6-9H,1,3-5,10-12,17H2,2H3
InChIKeyFPAABBKHYXTAGB-UHFFFAOYSA-N
MW245.37 g/mol
LogP3.76
Rot. Bonds4

About 1-[4-(2-methylprop-2-enoxy)phenyl]cyclohexan-1-amine

1-[4-(2-methylprop-2-enoxy)phenyl]cyclohexan-1-amine (PubChem CID 117366200) has the molecular formula C16H23NO and a molecular weight of 245.37 g/mol. Its IUPAC name is 1-[4-(2-methylprop-2-enoxy)phenyl]cyclohexan-1-amine.

Molecular Properties

Compound Name1-[4-(2-methylprop-2-enoxy)phenyl]cyclohexan-1-amine
PubChem CID117366200
Molecular FormulaC16H23NO
Molecular Weight245.37 g/mol
Exact Mass245.18
IUPAC Name1-[4-(2-methylprop-2-enoxy)phenyl]cyclohexan-1-amine
SMILESC=C(C)COc1ccc(C2(N)CCCCC2)cc1
InChIInChI=1S/C16H23NO/c1-13(2)12-18-15-8-6-14(7-9-15)16(17)10-4-3-5-11-16/h6-9H,1,3-5,10-12,17H2,2H3
InChIKeyFPAABBKHYXTAGB-UHFFFAOYSA-N
XLogP3.76
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-methylprop-2-enoxy)phenyl]cyclohexan-1-amine?
The IUPAC name of 1-[4-(2-methylprop-2-enoxy)phenyl]cyclohexan-1-amine (CID 117366200) is 1-[4-(2-methylprop-2-enoxy)phenyl]cyclohexan-1-amine.
What is the SMILES notation for 1-[4-(2-methylprop-2-enoxy)phenyl]cyclohexan-1-amine?
The canonical SMILES for 1-[4-(2-methylprop-2-enoxy)phenyl]cyclohexan-1-amine is C=C(C)COc1ccc(C2(N)CCCCC2)cc1.
What is the InChIKey of 1-[4-(2-methylprop-2-enoxy)phenyl]cyclohexan-1-amine?
The InChIKey is FPAABBKHYXTAGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO/c1-13(2)12-18-15-8-6-14(7-9-15)16(17)10-4-3-5-11-16/h6-9H,1,3-5,10-12,17H2,2H3.
What are the key properties of 1-[4-(2-methylprop-2-enoxy)phenyl]cyclohexan-1-amine?
1-[4-(2-methylprop-2-enoxy)phenyl]cyclohexan-1-amine has a molecular weight of 245.37 g/mol, XLogP of 3.76, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-methylprop-2-enoxy)phenyl]cyclohexan-1-amine is sourced from PubChem (CID 117366200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).