1-(3-fluoro-4-methoxyphenyl)cyclobutan-1-amine;hydrochloride

C11H15ClFNO — CID 162691811

IUPAC1-(3-fluoro-4-methoxyphenyl)cyclobutan-1-amine;hydrochloride
SMILESCOc1ccc(C2(N)CCC2)cc1F.Cl
InChIInChI=1S/C11H14FNO.ClH/c1-14-10-4-3-8(7-9(10)12)11(13)5-2-6-11;/h3-4,7H,2,5-6,13H2,1H3;1H
InChIKeyKXIQHYKMJWGZTI-UHFFFAOYSA-N
MW231.70 g/mol
LogP2.59
Rot. Bonds2

About 1-(3-fluoro-4-methoxyphenyl)cyclobutan-1-amine;hydrochloride

1-(3-fluoro-4-methoxyphenyl)cyclobutan-1-amine;hydrochloride (PubChem CID 162691811) has the molecular formula C11H15ClFNO and a molecular weight of 231.70 g/mol. Its IUPAC name is 1-(3-fluoro-4-methoxyphenyl)cyclobutan-1-amine;hydrochloride.

Molecular Properties

Compound Name1-(3-fluoro-4-methoxyphenyl)cyclobutan-1-amine;hydrochloride
PubChem CID162691811
Molecular FormulaC11H15ClFNO
Molecular Weight231.70 g/mol
Exact Mass231.08
IUPAC Name1-(3-fluoro-4-methoxyphenyl)cyclobutan-1-amine;hydrochloride
SMILESCOc1ccc(C2(N)CCC2)cc1F.Cl
InChIInChI=1S/C11H14FNO.ClH/c1-14-10-4-3-8(7-9(10)12)11(13)5-2-6-11;/h3-4,7H,2,5-6,13H2,1H3;1H
InChIKeyKXIQHYKMJWGZTI-UHFFFAOYSA-N
XLogP2.59
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.70
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-cyclopropyl-1-(3-fluoro-4-methoxyphenyl)cyclohexan-1-amine
CID 64595065
1-(3-fluoro-4-methoxyphenyl)-4-propylcycloheptan-1-amine
CID 65086410
[1-(3-fluoro-4-methoxyphenyl)cyclobutyl]methanamine
CID 131328420
1-(3-fluoro-4-methoxyphenyl)-N-methylcyclobutan-1-amine
CID 83688403
1-(3-fluoro-4-methylphenyl)cyclobutan-1-amine
CID 117278095
1-(3,4-dimethoxyphenyl)-4,4-dimethylcycloheptan-1-amine
CID 65084119
1-(4-ethyl-3-fluoro-5-methoxyphenyl)cyclobutan-1-amine
CID 117320267
1-(3-fluoro-5-methoxy-4-propan-2-ylphenyl)cyclobutan-1-amine
CID 117347276
1-(2,5-difluoro-4-methoxyphenyl)cyclobutan-1-amine
CID 117303916
5-(1-aminocyclopropyl)-2-methoxyaniline
CID 55297586
1-(4-chloro-3-fluorophenyl)cyclobutan-1-amine
CID 82607558
1-(4-fluoro-3,5-dimethoxyphenyl)cyclopentan-1-amine
CID 84799752

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoro-4-methoxyphenyl)cyclobutan-1-amine;hydrochloride?
The IUPAC name of 1-(3-fluoro-4-methoxyphenyl)cyclobutan-1-amine;hydrochloride (CID 162691811) is 1-(3-fluoro-4-methoxyphenyl)cyclobutan-1-amine;hydrochloride.
What is the SMILES notation for 1-(3-fluoro-4-methoxyphenyl)cyclobutan-1-amine;hydrochloride?
The canonical SMILES for 1-(3-fluoro-4-methoxyphenyl)cyclobutan-1-amine;hydrochloride is COc1ccc(C2(N)CCC2)cc1F.Cl.
What is the InChIKey of 1-(3-fluoro-4-methoxyphenyl)cyclobutan-1-amine;hydrochloride?
The InChIKey is KXIQHYKMJWGZTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FNO.ClH/c1-14-10-4-3-8(7-9(10)12)11(13)5-2-6-11;/h3-4,7H,2,5-6,13H2,1H3;1H.
What are the key properties of 1-(3-fluoro-4-methoxyphenyl)cyclobutan-1-amine;hydrochloride?
1-(3-fluoro-4-methoxyphenyl)cyclobutan-1-amine;hydrochloride has a molecular weight of 231.70 g/mol, XLogP of 2.59, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoro-4-methoxyphenyl)cyclobutan-1-amine;hydrochloride is sourced from PubChem (CID 162691811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).