1-(3-fluoro-5-methoxy-4-propan-2-ylphenyl)cyclobutan-1-amine

C14H20FNO — CID 117347276

IUPAC1-(3-fluoro-5-methoxy-4-propan-2-ylphenyl)cyclobutan-1-amine
SMILESCOc1cc(C2(N)CCC2)cc(F)c1C(C)C
InChIInChI=1S/C14H20FNO/c1-9(2)13-11(15)7-10(8-12(13)17-3)14(16)5-4-6-14/h7-9H,4-6,16H2,1-3H3
InChIKeyZKGUCFZVLQYPBF-UHFFFAOYSA-N
MW237.32 g/mol
LogP3.30
Rot. Bonds3

About 1-(3-fluoro-5-methoxy-4-propan-2-ylphenyl)cyclobutan-1-amine

1-(3-fluoro-5-methoxy-4-propan-2-ylphenyl)cyclobutan-1-amine (PubChem CID 117347276) has the molecular formula C14H20FNO and a molecular weight of 237.32 g/mol. Its IUPAC name is 1-(3-fluoro-5-methoxy-4-propan-2-ylphenyl)cyclobutan-1-amine.

Molecular Properties

Compound Name1-(3-fluoro-5-methoxy-4-propan-2-ylphenyl)cyclobutan-1-amine
PubChem CID117347276
Molecular FormulaC14H20FNO
Molecular Weight237.32 g/mol
Exact Mass237.15
IUPAC Name1-(3-fluoro-5-methoxy-4-propan-2-ylphenyl)cyclobutan-1-amine
SMILESCOc1cc(C2(N)CCC2)cc(F)c1C(C)C
InChIInChI=1S/C14H20FNO/c1-9(2)13-11(15)7-10(8-12(13)17-3)14(16)5-4-6-14/h7-9H,4-6,16H2,1-3H3
InChIKeyZKGUCFZVLQYPBF-UHFFFAOYSA-N
XLogP3.30
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.32
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-fluoro-5-methoxy-4-propan-2-ylphenyl)cyclopropan-1-amine
CID 84789141
1-(4-ethyl-3-fluoro-5-methoxyphenyl)cyclobutan-1-amine
CID 117320267
1-(4-fluoro-3,5-dimethoxyphenyl)cyclopentan-1-amine
CID 84799752
1-(3-fluoro-5-methoxy-4-propan-2-ylphenyl)cyclohexane-1-carboxylic acid
CID 117474947
1-(3-fluoro-4-methoxyphenyl)cyclobutan-1-amine;hydrochloride
CID 162691811
1-[(3-fluoro-5-methoxy-4-propan-2-ylphenyl)methyl]cyclopropan-1-amine
CID 117347282
1-(4-chloro-3-fluoro-5-methoxyphenyl)cyclopropan-1-amine
CID 84784320
1-(4-fluoro-3-methoxy-5-methylphenyl)cyclopentan-1-amine
CID 117320334
1-(2,5-difluoro-4-methoxyphenyl)cyclobutan-1-amine
CID 117303916
1-(4-fluoro-2-methoxy-5-propan-2-ylphenyl)cyclohexan-1-amine
CID 117418048
1-(2,3,6-trifluoro-5-methoxyphenyl)cyclobutan-1-amine
CID 117333727
1-(3-methoxy-4,5-dimethylphenyl)cyclohexan-1-amine
CID 117339192

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoro-5-methoxy-4-propan-2-ylphenyl)cyclobutan-1-amine?
The IUPAC name of 1-(3-fluoro-5-methoxy-4-propan-2-ylphenyl)cyclobutan-1-amine (CID 117347276) is 1-(3-fluoro-5-methoxy-4-propan-2-ylphenyl)cyclobutan-1-amine.
What is the SMILES notation for 1-(3-fluoro-5-methoxy-4-propan-2-ylphenyl)cyclobutan-1-amine?
The canonical SMILES for 1-(3-fluoro-5-methoxy-4-propan-2-ylphenyl)cyclobutan-1-amine is COc1cc(C2(N)CCC2)cc(F)c1C(C)C.
What is the InChIKey of 1-(3-fluoro-5-methoxy-4-propan-2-ylphenyl)cyclobutan-1-amine?
The InChIKey is ZKGUCFZVLQYPBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FNO/c1-9(2)13-11(15)7-10(8-12(13)17-3)14(16)5-4-6-14/h7-9H,4-6,16H2,1-3H3.
What are the key properties of 1-(3-fluoro-5-methoxy-4-propan-2-ylphenyl)cyclobutan-1-amine?
1-(3-fluoro-5-methoxy-4-propan-2-ylphenyl)cyclobutan-1-amine has a molecular weight of 237.32 g/mol, XLogP of 3.30, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoro-5-methoxy-4-propan-2-ylphenyl)cyclobutan-1-amine is sourced from PubChem (CID 117347276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).