1-(3-methoxyphenyl)-3-methylcyclobutan-1-amine;hydrochloride

C12H18ClNO — CID 127264178

IUPAC1-(3-methoxyphenyl)-3-methylcyclobutan-1-amine;hydrochloride
SMILESCOc1cccc(C2(N)CC(C)C2)c1.Cl
InChIInChI=1S/C12H17NO.ClH/c1-9-7-12(13,8-9)10-4-3-5-11(6-10)14-2;/h3-6,9H,7-8,13H2,1-2H3;1H
InChIKeyHIGHOLPOXYTXKF-UHFFFAOYSA-N
MW227.74 g/mol
LogP2.70
Rot. Bonds2

About 1-(3-methoxyphenyl)-3-methylcyclobutan-1-amine;hydrochloride

1-(3-methoxyphenyl)-3-methylcyclobutan-1-amine;hydrochloride (PubChem CID 127264178) has the molecular formula C12H18ClNO and a molecular weight of 227.74 g/mol. Its IUPAC name is 1-(3-methoxyphenyl)-3-methylcyclobutan-1-amine;hydrochloride.

Molecular Properties

Compound Name1-(3-methoxyphenyl)-3-methylcyclobutan-1-amine;hydrochloride
PubChem CID127264178
Molecular FormulaC12H18ClNO
Molecular Weight227.74 g/mol
Exact Mass227.11
IUPAC Name1-(3-methoxyphenyl)-3-methylcyclobutan-1-amine;hydrochloride
SMILESCOc1cccc(C2(N)CC(C)C2)c1.Cl
InChIInChI=1S/C12H17NO.ClH/c1-9-7-12(13,8-9)10-4-3-5-11(6-10)14-2;/h3-6,9H,7-8,13H2,1-2H3;1H
InChIKeyHIGHOLPOXYTXKF-UHFFFAOYSA-N
XLogP2.70
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.74
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-ethyl-1-(3-methoxyphenyl)cyclobutan-1-amine
CID 64997497
3-fluoro-1-(3-methoxyphenyl)-3-methylcyclopentan-1-amine
CID 115034038
1-(3-methoxyphenyl)-3,3-dipropylcyclobutan-1-amine
CID 65005245
2-(3-methoxyphenyl)-2-methylcyclopropan-1-amine
CID 62389909
2-(3-methoxyphenyl)spiro[3.3]heptan-2-amine
CID 65009223
1-(3-methoxyphenyl)-3,3-dimethylcyclopentan-1-amine
CID 80692869
1-(3-methoxyphenyl)-5-methyl-2-propan-2-ylcyclohexan-1-amine
CID 60795197
1-(4-methoxyphenyl)-3,5-dimethylcyclohexan-1-amine
CID 64751441
1-(3-methoxyphenyl)-2-methylcyclopentan-1-amine
CID 79679338
1-(3-methoxyphenyl)adamantane
CID 54036220
1-(3-methoxyphenyl)-2,5-dimethylcyclohexan-1-ol
CID 64756237
1-methoxy-3-[1,4,4-tris(3-methoxyphenyl)cyclohexyl]benzene
CID 23534042

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxyphenyl)-3-methylcyclobutan-1-amine;hydrochloride?
The IUPAC name of 1-(3-methoxyphenyl)-3-methylcyclobutan-1-amine;hydrochloride (CID 127264178) is 1-(3-methoxyphenyl)-3-methylcyclobutan-1-amine;hydrochloride.
What is the SMILES notation for 1-(3-methoxyphenyl)-3-methylcyclobutan-1-amine;hydrochloride?
The canonical SMILES for 1-(3-methoxyphenyl)-3-methylcyclobutan-1-amine;hydrochloride is COc1cccc(C2(N)CC(C)C2)c1.Cl.
What is the InChIKey of 1-(3-methoxyphenyl)-3-methylcyclobutan-1-amine;hydrochloride?
The InChIKey is HIGHOLPOXYTXKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO.ClH/c1-9-7-12(13,8-9)10-4-3-5-11(6-10)14-2;/h3-6,9H,7-8,13H2,1-2H3;1H.
What are the key properties of 1-(3-methoxyphenyl)-3-methylcyclobutan-1-amine;hydrochloride?
1-(3-methoxyphenyl)-3-methylcyclobutan-1-amine;hydrochloride has a molecular weight of 227.74 g/mol, XLogP of 2.70, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxyphenyl)-3-methylcyclobutan-1-amine;hydrochloride is sourced from PubChem (CID 127264178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).