1-(4-methoxyphenyl)cyclobutan-1-amine;1-(4-methoxyphenyl)cyclobutane-1-carboxamide;hydrochloride

C23H31ClN2O3 — CID 158410328

IUPAC1-(4-methoxyphenyl)cyclobutan-1-amine;1-(4-methoxyphenyl)cyclobutane-1-carboxamide;hydrochloride
SMILESCOc1ccc(C2(C(N)=O)CCC2)cc1.COc1ccc(C2(N)CCC2)cc1.Cl
InChIInChI=1S/C12H15NO2.C11H15NO.ClH/c1-15-10-5-3-9(4-6-10)12(11(13)14)7-2-8-12;1-13-10-5-3-9(4-6-10)11(12)7-2-8-11;/h3-6H,2,7-8H2,1H3,(H2,13,14);3-6H,2,7-8,12H2,1H3;1H
InChIKeyXJOODQSPFXHINL-UHFFFAOYSA-N
MW418.97 g/mol
LogP4.06
Rot. Bonds5

About 1-(4-methoxyphenyl)cyclobutan-1-amine;1-(4-methoxyphenyl)cyclobutane-1-carboxamide;hydrochloride

1-(4-methoxyphenyl)cyclobutan-1-amine;1-(4-methoxyphenyl)cyclobutane-1-carboxamide;hydrochloride (PubChem CID 158410328) has the molecular formula C23H31ClN2O3 and a molecular weight of 418.97 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)cyclobutan-1-amine;1-(4-methoxyphenyl)cyclobutane-1-carboxamide;hydrochloride.

Molecular Properties

Compound Name1-(4-methoxyphenyl)cyclobutan-1-amine;1-(4-methoxyphenyl)cyclobutane-1-carboxamide;hydrochloride
PubChem CID158410328
Molecular FormulaC23H31ClN2O3
Molecular Weight418.97 g/mol
Exact Mass418.20
IUPAC Name1-(4-methoxyphenyl)cyclobutan-1-amine;1-(4-methoxyphenyl)cyclobutane-1-carboxamide;hydrochloride
SMILESCOc1ccc(C2(C(N)=O)CCC2)cc1.COc1ccc(C2(N)CCC2)cc1.Cl
InChIInChI=1S/C12H15NO2.C11H15NO.ClH/c1-15-10-5-3-9(4-6-10)12(11(13)14)7-2-8-12;1-13-10-5-3-9(4-6-10)11(12)7-2-8-11;/h3-6H,2,7-8H2,1H3,(H2,13,14);3-6H,2,7-8,12H2,1H3;1H
InChIKeyXJOODQSPFXHINL-UHFFFAOYSA-N
XLogP4.06
TPSA87.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.97
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-(2-methoxyethoxy)phenyl]cyclobutan-1-amine
CID 117316587
1-(4-methoxyphenyl)-N-methylcyclopropane-1-carboxamide
CID 53016794
N-ethyl-1-(4-methoxyphenyl)cyclopentane-1-carboxamide
CID 110487274
1-(4-phenoxyphenyl)cyclopropane-1-carboxamide
CID 174895931
1-[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
CID 120862536
4-tert-butyl-1-(4-methoxyphenyl)cycloheptan-1-amine
CID 65090015
1-(4-bromophenyl)cyclohexane-1-carboxamide
CID 47319711
1-[5-[1-(4-methoxyphenyl)cyclobutyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride
CID 120853255
ethane;1-(4-hydroxyphenyl)cyclopropane-1-carboxamide
CID 143988674
1-(4-fluorophenyl)-N-[(4-methoxyphenyl)methyl]cyclobutane-1-carboxamide
CID 110438220
N-[(1R,2S)-2-aminocyclobutyl]-1-(4-methoxyphenyl)cyclopentane-1-carboxamide
CID 133128043
1-[4-(trifluoromethoxy)phenyl]cyclobutan-1-amine;hydrochloride
CID 129032986

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)cyclobutan-1-amine;1-(4-methoxyphenyl)cyclobutane-1-carboxamide;hydrochloride?
The IUPAC name of 1-(4-methoxyphenyl)cyclobutan-1-amine;1-(4-methoxyphenyl)cyclobutane-1-carboxamide;hydrochloride (CID 158410328) is 1-(4-methoxyphenyl)cyclobutan-1-amine;1-(4-methoxyphenyl)cyclobutane-1-carboxamide;hydrochloride.
What is the SMILES notation for 1-(4-methoxyphenyl)cyclobutan-1-amine;1-(4-methoxyphenyl)cyclobutane-1-carboxamide;hydrochloride?
The canonical SMILES for 1-(4-methoxyphenyl)cyclobutan-1-amine;1-(4-methoxyphenyl)cyclobutane-1-carboxamide;hydrochloride is COc1ccc(C2(C(N)=O)CCC2)cc1.COc1ccc(C2(N)CCC2)cc1.Cl.
What is the InChIKey of 1-(4-methoxyphenyl)cyclobutan-1-amine;1-(4-methoxyphenyl)cyclobutane-1-carboxamide;hydrochloride?
The InChIKey is XJOODQSPFXHINL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO2.C11H15NO.ClH/c1-15-10-5-3-9(4-6-10)12(11(13)14)7-2-8-12;1-13-10-5-3-9(4-6-10)11(12)7-2-8-11;/h3-6H,2,7-8H2,1H3,(H2,13,14);3-6H,2,7-8,12H2,1H3;1H.
What are the key properties of 1-(4-methoxyphenyl)cyclobutan-1-amine;1-(4-methoxyphenyl)cyclobutane-1-carboxamide;hydrochloride?
1-(4-methoxyphenyl)cyclobutan-1-amine;1-(4-methoxyphenyl)cyclobutane-1-carboxamide;hydrochloride has a molecular weight of 418.97 g/mol, XLogP of 4.06, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)cyclobutan-1-amine;1-(4-methoxyphenyl)cyclobutane-1-carboxamide;hydrochloride is sourced from PubChem (CID 158410328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).