1-[[3-(4-methoxyphenyl)cyclobutyl]amino]propan-2-ol

C14H21NO2 — CID 43635449

IUPAC1-[[3-(4-methoxyphenyl)cyclobutyl]amino]propan-2-ol
SMILESCOc1ccc(C2CC(NCC(C)O)C2)cc1
InChIInChI=1S/C14H21NO2/c1-10(16)9-15-13-7-12(8-13)11-3-5-14(17-2)6-4-11/h3-6,10,12-13,15-16H,7-9H2,1-2H3
InChIKeyABYRRLWSHWLUCG-UHFFFAOYSA-N
MW235.33 g/mol
LogP1.91
Rot. Bonds5

About 1-[[3-(4-methoxyphenyl)cyclobutyl]amino]propan-2-ol

1-[[3-(4-methoxyphenyl)cyclobutyl]amino]propan-2-ol (PubChem CID 43635449) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is 1-[[3-(4-methoxyphenyl)cyclobutyl]amino]propan-2-ol.

Molecular Properties

Compound Name1-[[3-(4-methoxyphenyl)cyclobutyl]amino]propan-2-ol
PubChem CID43635449
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Name1-[[3-(4-methoxyphenyl)cyclobutyl]amino]propan-2-ol
SMILESCOc1ccc(C2CC(NCC(C)O)C2)cc1
InChIInChI=1S/C14H21NO2/c1-10(16)9-15-13-7-12(8-13)11-3-5-14(17-2)6-4-11/h3-6,10,12-13,15-16H,7-9H2,1-2H3
InChIKeyABYRRLWSHWLUCG-UHFFFAOYSA-N
XLogP1.91
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-1-[[3-(4-methylphenyl)cyclobutyl]amino]propan-2-ol
CID 93252952
2-[[3-(4-methoxyphenyl)cyclobutyl]amino]-N-methylacetamide
CID 43635290
N'-[3-(4-methoxyphenyl)cyclobutyl]propane-1,3-diamine
CID 60887983
3-[[3-(4-methoxyphenyl)cyclobutyl]amino]-2-methylpropane-1,2-diol
CID 66170006
2,2-difluoro-3-[[3-(4-methoxyphenyl)cyclobutyl]amino]propan-1-ol
CID 106172901
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'-[3-(4-methoxyphenyl)cyclobutyl]-N,N,2,2-tetramethylpropane-1,3-diamine
CID 43633039
3-(4-methoxyphenyl)-N-[2-(2-methylprop-2-enoxy)ethyl]cyclobutan-1-amine
CID 114465904
N-(2-methoxypropyl)-3-(4-methylphenyl)cyclobutan-1-amine
CID 102696984
N-(2-cyclopentylethyl)-3-(4-methoxyphenyl)cyclobutan-1-amine
CID 60920137

Frequently Asked Questions

What is the IUPAC name of 1-[[3-(4-methoxyphenyl)cyclobutyl]amino]propan-2-ol?
The IUPAC name of 1-[[3-(4-methoxyphenyl)cyclobutyl]amino]propan-2-ol (CID 43635449) is 1-[[3-(4-methoxyphenyl)cyclobutyl]amino]propan-2-ol.
What is the SMILES notation for 1-[[3-(4-methoxyphenyl)cyclobutyl]amino]propan-2-ol?
The canonical SMILES for 1-[[3-(4-methoxyphenyl)cyclobutyl]amino]propan-2-ol is COc1ccc(C2CC(NCC(C)O)C2)cc1.
What is the InChIKey of 1-[[3-(4-methoxyphenyl)cyclobutyl]amino]propan-2-ol?
The InChIKey is ABYRRLWSHWLUCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-10(16)9-15-13-7-12(8-13)11-3-5-14(17-2)6-4-11/h3-6,10,12-13,15-16H,7-9H2,1-2H3.
What are the key properties of 1-[[3-(4-methoxyphenyl)cyclobutyl]amino]propan-2-ol?
1-[[3-(4-methoxyphenyl)cyclobutyl]amino]propan-2-ol has a molecular weight of 235.33 g/mol, XLogP of 1.91, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-(4-methoxyphenyl)cyclobutyl]amino]propan-2-ol is sourced from PubChem (CID 43635449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).