3-(4-methoxyphenyl)-N-[3-(2-methylpropoxy)propyl]cyclobutan-1-amine

C18H29NO2 — CID 43634596

IUPAC3-(4-methoxyphenyl)-N-[3-(2-methylpropoxy)propyl]cyclobutan-1-amine
SMILESCOc1ccc(C2CC(NCCCOCC(C)C)C2)cc1
InChIInChI=1S/C18H29NO2/c1-14(2)13-21-10-4-9-19-17-11-16(12-17)15-5-7-18(20-3)8-6-15/h5-8,14,16-17,19H,4,9-13H2,1-3H3
InChIKeyXIUQNJPFIUQCIT-UHFFFAOYSA-N
MW291.44 g/mol
LogP3.59
Rot. Bonds9

About 3-(4-methoxyphenyl)-N-[3-(2-methylpropoxy)propyl]cyclobutan-1-amine

3-(4-methoxyphenyl)-N-[3-(2-methylpropoxy)propyl]cyclobutan-1-amine (PubChem CID 43634596) has the molecular formula C18H29NO2 and a molecular weight of 291.44 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)-N-[3-(2-methylpropoxy)propyl]cyclobutan-1-amine.

Molecular Properties

Compound Name3-(4-methoxyphenyl)-N-[3-(2-methylpropoxy)propyl]cyclobutan-1-amine
PubChem CID43634596
Molecular FormulaC18H29NO2
Molecular Weight291.44 g/mol
Exact Mass291.22
IUPAC Name3-(4-methoxyphenyl)-N-[3-(2-methylpropoxy)propyl]cyclobutan-1-amine
SMILESCOc1ccc(C2CC(NCCCOCC(C)C)C2)cc1
InChIInChI=1S/C18H29NO2/c1-14(2)13-21-10-4-9-19-17-11-16(12-17)15-5-7-18(20-3)8-6-15/h5-8,14,16-17,19H,4,9-13H2,1-3H3
InChIKeyXIUQNJPFIUQCIT-UHFFFAOYSA-N
XLogP3.59
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N'-[3-(4-methoxyphenyl)cyclobutyl]propane-1,3-diamine
CID 60887983
3-(4-methoxyphenyl)-N-octylcyclobutan-1-amine
CID 115566490
3-(4-methoxyphenyl)-N-[2-(2-methylprop-2-enoxy)ethyl]cyclobutan-1-amine
CID 114465904
N-hex-5-ynyl-3-(4-methoxyphenyl)cyclobutan-1-amine
CID 106209695
N-(2-cyclopentylethyl)-3-(4-methoxyphenyl)cyclobutan-1-amine
CID 60920137
1-[[3-(4-methoxyphenyl)cyclobutyl]amino]propan-2-ol
CID 43635449
N-[3-(2-methylpropoxy)propyl]cyclopentanamine
CID 28681533
3-ethoxy-N-[3-(2-methylpropoxy)propyl]cyclobutan-1-amine
CID 112553021
2-[[3-(4-methoxyphenyl)cyclobutyl]amino]ethylurea
CID 83109435
3-(4-methoxyphenyl)-N-[2-(oxolan-2-yl)ethyl]cyclobutan-1-amine
CID 61039964
N-[2-(2-methylpropoxy)ethyl]-4-phenylcyclohexan-1-amine
CID 115584682
1-(4-methoxyphenyl)-N-[3-(2-methylpropoxy)propyl]propan-2-amine
CID 43508791

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)-N-[3-(2-methylpropoxy)propyl]cyclobutan-1-amine?
The IUPAC name of 3-(4-methoxyphenyl)-N-[3-(2-methylpropoxy)propyl]cyclobutan-1-amine (CID 43634596) is 3-(4-methoxyphenyl)-N-[3-(2-methylpropoxy)propyl]cyclobutan-1-amine.
What is the SMILES notation for 3-(4-methoxyphenyl)-N-[3-(2-methylpropoxy)propyl]cyclobutan-1-amine?
The canonical SMILES for 3-(4-methoxyphenyl)-N-[3-(2-methylpropoxy)propyl]cyclobutan-1-amine is COc1ccc(C2CC(NCCCOCC(C)C)C2)cc1.
What is the InChIKey of 3-(4-methoxyphenyl)-N-[3-(2-methylpropoxy)propyl]cyclobutan-1-amine?
The InChIKey is XIUQNJPFIUQCIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO2/c1-14(2)13-21-10-4-9-19-17-11-16(12-17)15-5-7-18(20-3)8-6-15/h5-8,14,16-17,19H,4,9-13H2,1-3H3.
What are the key properties of 3-(4-methoxyphenyl)-N-[3-(2-methylpropoxy)propyl]cyclobutan-1-amine?
3-(4-methoxyphenyl)-N-[3-(2-methylpropoxy)propyl]cyclobutan-1-amine has a molecular weight of 291.44 g/mol, XLogP of 3.59, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)-N-[3-(2-methylpropoxy)propyl]cyclobutan-1-amine is sourced from PubChem (CID 43634596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).