3-(4-methoxyphenyl)-N-[2-(2-methylprop-2-enoxy)ethyl]cyclobutan-1-amine

C17H25NO2 — CID 114465904

IUPAC3-(4-methoxyphenyl)-N-[2-(2-methylprop-2-enoxy)ethyl]cyclobutan-1-amine
SMILESC=C(C)COCCNC1CC(c2ccc(OC)cc2)C1
InChIInChI=1S/C17H25NO2/c1-13(2)12-20-9-8-18-16-10-15(11-16)14-4-6-17(19-3)7-5-14/h4-7,15-16,18H,1,8-12H2,2-3H3
InChIKeyOBGUIVCGGXCPBT-UHFFFAOYSA-N
MW275.39 g/mol
LogP3.12
Rot. Bonds8

About 3-(4-methoxyphenyl)-N-[2-(2-methylprop-2-enoxy)ethyl]cyclobutan-1-amine

3-(4-methoxyphenyl)-N-[2-(2-methylprop-2-enoxy)ethyl]cyclobutan-1-amine (PubChem CID 114465904) has the molecular formula C17H25NO2 and a molecular weight of 275.39 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)-N-[2-(2-methylprop-2-enoxy)ethyl]cyclobutan-1-amine.

Molecular Properties

Compound Name3-(4-methoxyphenyl)-N-[2-(2-methylprop-2-enoxy)ethyl]cyclobutan-1-amine
PubChem CID114465904
Molecular FormulaC17H25NO2
Molecular Weight275.39 g/mol
Exact Mass275.19
IUPAC Name3-(4-methoxyphenyl)-N-[2-(2-methylprop-2-enoxy)ethyl]cyclobutan-1-amine
SMILESC=C(C)COCCNC1CC(c2ccc(OC)cc2)C1
InChIInChI=1S/C17H25NO2/c1-13(2)12-20-9-8-18-16-10-15(11-16)14-4-6-17(19-3)7-5-14/h4-7,15-16,18H,1,8-12H2,2-3H3
InChIKeyOBGUIVCGGXCPBT-UHFFFAOYSA-N
XLogP3.12
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.39
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N'-[3-(4-methoxyphenyl)cyclobutyl]propane-1,3-diamine
CID 60887983
3-(4-methoxyphenyl)-N-[3-(2-methylpropoxy)propyl]cyclobutan-1-amine
CID 43634596
3-(4-methoxyphenyl)-N-octylcyclobutan-1-amine
CID 115566490
2-[[3-(4-methoxyphenyl)cyclobutyl]amino]ethylurea
CID 83109435
N-(2-cyclopentylethyl)-3-(4-methoxyphenyl)cyclobutan-1-amine
CID 60920137
1-[[3-(4-methoxyphenyl)cyclobutyl]amino]propan-2-ol
CID 43635449
N-hex-5-ynyl-3-(4-methoxyphenyl)cyclobutan-1-amine
CID 106209695
3-(4-methoxyphenyl)-N-[2-(oxolan-2-yl)ethyl]cyclobutan-1-amine
CID 61039964
2-[[3-(4-methoxyphenyl)cyclobutyl]amino]-N-methylacetamide
CID 43635290
3-(4-chlorophenyl)-N-(2-ethoxyethyl)cyclobutan-1-amine
CID 43635778
2,2-difluoro-3-[[3-(4-methoxyphenyl)cyclobutyl]amino]propan-1-ol
CID 106172901
3-[[3-(4-methoxyphenyl)cyclobutyl]amino]-2-methylpropane-1,2-diol
CID 66170006

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)-N-[2-(2-methylprop-2-enoxy)ethyl]cyclobutan-1-amine?
The IUPAC name of 3-(4-methoxyphenyl)-N-[2-(2-methylprop-2-enoxy)ethyl]cyclobutan-1-amine (CID 114465904) is 3-(4-methoxyphenyl)-N-[2-(2-methylprop-2-enoxy)ethyl]cyclobutan-1-amine.
What is the SMILES notation for 3-(4-methoxyphenyl)-N-[2-(2-methylprop-2-enoxy)ethyl]cyclobutan-1-amine?
The canonical SMILES for 3-(4-methoxyphenyl)-N-[2-(2-methylprop-2-enoxy)ethyl]cyclobutan-1-amine is C=C(C)COCCNC1CC(c2ccc(OC)cc2)C1.
What is the InChIKey of 3-(4-methoxyphenyl)-N-[2-(2-methylprop-2-enoxy)ethyl]cyclobutan-1-amine?
The InChIKey is OBGUIVCGGXCPBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO2/c1-13(2)12-20-9-8-18-16-10-15(11-16)14-4-6-17(19-3)7-5-14/h4-7,15-16,18H,1,8-12H2,2-3H3.
What are the key properties of 3-(4-methoxyphenyl)-N-[2-(2-methylprop-2-enoxy)ethyl]cyclobutan-1-amine?
3-(4-methoxyphenyl)-N-[2-(2-methylprop-2-enoxy)ethyl]cyclobutan-1-amine has a molecular weight of 275.39 g/mol, XLogP of 3.12, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)-N-[2-(2-methylprop-2-enoxy)ethyl]cyclobutan-1-amine is sourced from PubChem (CID 114465904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).