[1-[4-(2-methylprop-2-enoxy)phenyl]cyclohexyl]methanamine

C17H25NO — CID 117402969

IUPAC[1-[4-(2-methylprop-2-enoxy)phenyl]cyclohexyl]methanamine
SMILESC=C(C)COc1ccc(C2(CN)CCCCC2)cc1
InChIInChI=1S/C17H25NO/c1-14(2)12-19-16-8-6-15(7-9-16)17(13-18)10-4-3-5-11-17/h6-9H,1,3-5,10-13,18H2,2H3
InChIKeyGFRKIWXYVMHUHE-UHFFFAOYSA-N
MW259.39 g/mol
LogP3.80
Rot. Bonds5

About [1-[4-(2-methylprop-2-enoxy)phenyl]cyclohexyl]methanamine

[1-[4-(2-methylprop-2-enoxy)phenyl]cyclohexyl]methanamine (PubChem CID 117402969) has the molecular formula C17H25NO and a molecular weight of 259.39 g/mol. Its IUPAC name is [1-[4-(2-methylprop-2-enoxy)phenyl]cyclohexyl]methanamine.

Molecular Properties

Compound Name[1-[4-(2-methylprop-2-enoxy)phenyl]cyclohexyl]methanamine
PubChem CID117402969
Molecular FormulaC17H25NO
Molecular Weight259.39 g/mol
Exact Mass259.19
IUPAC Name[1-[4-(2-methylprop-2-enoxy)phenyl]cyclohexyl]methanamine
SMILESC=C(C)COc1ccc(C2(CN)CCCCC2)cc1
InChIInChI=1S/C17H25NO/c1-14(2)12-19-16-8-6-15(7-9-16)17(13-18)10-4-3-5-11-17/h6-9H,1,3-5,10-13,18H2,2H3
InChIKeyGFRKIWXYVMHUHE-UHFFFAOYSA-N
XLogP3.80
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.39
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[4-(2-methylprop-2-enoxy)phenyl]cyclohexan-1-amine
CID 117366200
1-methoxy-4-[1-(2-methylprop-2-enyl)cyclohexyl]benzene
CID 146167664
2-methyl-2-[4-(2-methylprop-2-enoxy)phenyl]pyrrolidine
CID 117335007
[1-(4-cyclobutyloxyphenyl)cyclohexyl]methanamine
CID 117402976
[1-[4-(difluoromethoxy)phenyl]cycloheptyl]methanamine
CID 28937862
[4-(2-methylprop-2-enoxy)phenyl]methanamine
CID 54793590
[1-(4-chlorophenyl)cycloheptyl]methanamine
CID 28937852
4-[1-(aminomethyl)cyclohexyl]benzenethiol
CID 154826557
[4-[1-(aminomethyl)cyclohexyl]phenyl]boronic acid
CID 82070647
1-[4-[1-[4-(2-oxopropoxy)phenyl]cyclohexyl]phenoxy]propan-2-one
CID 138403046
[1-[4-(oxetan-3-yloxy)phenyl]cyclohexyl]methanamine
CID 117408251
[1-(4-ethylphenyl)cyclopentyl]methanamine
CID 82491828

Frequently Asked Questions

What is the IUPAC name of [1-[4-(2-methylprop-2-enoxy)phenyl]cyclohexyl]methanamine?
The IUPAC name of [1-[4-(2-methylprop-2-enoxy)phenyl]cyclohexyl]methanamine (CID 117402969) is [1-[4-(2-methylprop-2-enoxy)phenyl]cyclohexyl]methanamine.
What is the SMILES notation for [1-[4-(2-methylprop-2-enoxy)phenyl]cyclohexyl]methanamine?
The canonical SMILES for [1-[4-(2-methylprop-2-enoxy)phenyl]cyclohexyl]methanamine is C=C(C)COc1ccc(C2(CN)CCCCC2)cc1.
What is the InChIKey of [1-[4-(2-methylprop-2-enoxy)phenyl]cyclohexyl]methanamine?
The InChIKey is GFRKIWXYVMHUHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO/c1-14(2)12-19-16-8-6-15(7-9-16)17(13-18)10-4-3-5-11-17/h6-9H,1,3-5,10-13,18H2,2H3.
What are the key properties of [1-[4-(2-methylprop-2-enoxy)phenyl]cyclohexyl]methanamine?
[1-[4-(2-methylprop-2-enoxy)phenyl]cyclohexyl]methanamine has a molecular weight of 259.39 g/mol, XLogP of 3.80, 5 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]cyclohexyl]methanamine is sourced from PubChem (CID 117402969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).