1-(4-ethyl-3-fluoro-5-methoxyphenyl)cyclobutan-1-amine

C13H18FNO — CID 117320267

IUPAC1-(4-ethyl-3-fluoro-5-methoxyphenyl)cyclobutan-1-amine
SMILESCCc1c(F)cc(C2(N)CCC2)cc1OC
InChIInChI=1S/C13H18FNO/c1-3-10-11(14)7-9(8-12(10)16-2)13(15)5-4-6-13/h7-8H,3-6,15H2,1-2H3
InChIKeyRRPMQNCBQPRDRQ-UHFFFAOYSA-N
MW223.29 g/mol
LogP2.73
Rot. Bonds3

About 1-(4-ethyl-3-fluoro-5-methoxyphenyl)cyclobutan-1-amine

1-(4-ethyl-3-fluoro-5-methoxyphenyl)cyclobutan-1-amine (PubChem CID 117320267) has the molecular formula C13H18FNO and a molecular weight of 223.29 g/mol. Its IUPAC name is 1-(4-ethyl-3-fluoro-5-methoxyphenyl)cyclobutan-1-amine.

Molecular Properties

Compound Name1-(4-ethyl-3-fluoro-5-methoxyphenyl)cyclobutan-1-amine
PubChem CID117320267
Molecular FormulaC13H18FNO
Molecular Weight223.29 g/mol
Exact Mass223.14
IUPAC Name1-(4-ethyl-3-fluoro-5-methoxyphenyl)cyclobutan-1-amine
SMILESCCc1c(F)cc(C2(N)CCC2)cc1OC
InChIInChI=1S/C13H18FNO/c1-3-10-11(14)7-9(8-12(10)16-2)13(15)5-4-6-13/h7-8H,3-6,15H2,1-2H3
InChIKeyRRPMQNCBQPRDRQ-UHFFFAOYSA-N
XLogP2.73
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.29
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[1-(4-ethyl-3-fluoro-5-methoxyphenyl)cyclobutyl]methanamine
CID 117347270
[1-(4-ethyl-3-fluoro-5-methoxyphenyl)cyclopropyl]methanamine
CID 117320148
[1-(4-ethyl-3-fluoro-5-methoxyphenyl)cyclohexyl]methanamine
CID 117418082
1-(3-chloro-4-ethyl-5-methoxyphenyl)cyclohexan-1-amine
CID 117423312
1-(3-fluoro-5-methoxy-4-propan-2-ylphenyl)cyclobutan-1-amine
CID 117347276
1-(4-fluoro-3,5-dimethoxyphenyl)cyclopentan-1-amine
CID 84799752
1-(3-fluoro-4-methoxyphenyl)cyclobutan-1-amine;hydrochloride
CID 162691811
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-(3-fluoro-5-methoxy-4-propan-2-ylphenyl)cyclopropan-1-amine
CID 84789141
2,5-diethyl-1-fluoro-3-methoxybenzene
CID 175600199
1-(2,5-difluoro-4-methoxyphenyl)cyclobutan-1-amine
CID 117303916

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethyl-3-fluoro-5-methoxyphenyl)cyclobutan-1-amine?
The IUPAC name of 1-(4-ethyl-3-fluoro-5-methoxyphenyl)cyclobutan-1-amine (CID 117320267) is 1-(4-ethyl-3-fluoro-5-methoxyphenyl)cyclobutan-1-amine.
What is the SMILES notation for 1-(4-ethyl-3-fluoro-5-methoxyphenyl)cyclobutan-1-amine?
The canonical SMILES for 1-(4-ethyl-3-fluoro-5-methoxyphenyl)cyclobutan-1-amine is CCc1c(F)cc(C2(N)CCC2)cc1OC.
What is the InChIKey of 1-(4-ethyl-3-fluoro-5-methoxyphenyl)cyclobutan-1-amine?
The InChIKey is RRPMQNCBQPRDRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FNO/c1-3-10-11(14)7-9(8-12(10)16-2)13(15)5-4-6-13/h7-8H,3-6,15H2,1-2H3.
What are the key properties of 1-(4-ethyl-3-fluoro-5-methoxyphenyl)cyclobutan-1-amine?
1-(4-ethyl-3-fluoro-5-methoxyphenyl)cyclobutan-1-amine has a molecular weight of 223.29 g/mol, XLogP of 2.73, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethyl-3-fluoro-5-methoxyphenyl)cyclobutan-1-amine is sourced from PubChem (CID 117320267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).