[1-(3-chloro-4-fluorophenyl)cyclobutyl]methanamine

C11H13ClFN — CID 117304698

IUPAC[1-(3-chloro-4-fluorophenyl)cyclobutyl]methanamine
SMILESNCC1(c2ccc(F)c(Cl)c2)CCC1
InChIInChI=1S/C11H13ClFN/c12-9-6-8(2-3-10(9)13)11(7-14)4-1-5-11/h2-3,6H,1,4-5,7,14H2
InChIKeyMMKFYFXDZOJHEE-UHFFFAOYSA-N
MW213.68 g/mol
LogP2.86
Rot. Bonds2

About [1-(3-chloro-4-fluorophenyl)cyclobutyl]methanamine

[1-(3-chloro-4-fluorophenyl)cyclobutyl]methanamine (PubChem CID 117304698) has the molecular formula C11H13ClFN and a molecular weight of 213.68 g/mol. Its IUPAC name is [1-(3-chloro-4-fluorophenyl)cyclobutyl]methanamine.

Molecular Properties

Compound Name[1-(3-chloro-4-fluorophenyl)cyclobutyl]methanamine
PubChem CID117304698
Molecular FormulaC11H13ClFN
Molecular Weight213.68 g/mol
Exact Mass213.07
IUPAC Name[1-(3-chloro-4-fluorophenyl)cyclobutyl]methanamine
SMILESNCC1(c2ccc(F)c(Cl)c2)CCC1
InChIInChI=1S/C11H13ClFN/c12-9-6-8(2-3-10(9)13)11(7-14)4-1-5-11/h2-3,6H,1,4-5,7,14H2
InChIKeyMMKFYFXDZOJHEE-UHFFFAOYSA-N
XLogP2.86
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.68
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

[1-(3-chloro-4-fluorophenyl)cyclopropyl]methanamine;methanol
CID 143403316
1-[1-(3-chloro-4-fluorophenyl)cyclobutyl]-N-methylmethanamine
CID 116963646
[1-(4-chlorophenyl)cycloheptyl]methanamine
CID 28937852
[1-(3-chloro-4-pyrrolidin-1-ylphenyl)cyclobutyl]methanamine
CID 117416314
1-(3-chloro-4-fluorophenyl)cyclobutan-1-amine;hydrochloride
CID 129033048
[1-(3-chloro-4-methylphenyl)cyclohexyl]methanamine
CID 83824553
[1-(3-chloro-4-pentan-3-ylphenyl)cyclobutyl]methanamine
CID 117418946
[1-(4-bromo-3-fluorophenyl)cyclopentyl]methanamine
CID 117432913
5-[1-(aminomethyl)cyclopentyl]-2-chlorophenol
CID 84790699
[1-(3-fluoro-4-methoxyphenyl)cyclobutyl]methanamine
CID 131328420
4-[1-(aminomethyl)cyclobutyl]-2-fluoro-N,N-dimethylaniline
CID 117318635
[1-(6-chloronaphthalen-2-yl)cyclopropyl]methanamine
CID 105490366

Frequently Asked Questions

What is the IUPAC name of [1-(3-chloro-4-fluorophenyl)cyclobutyl]methanamine?
The IUPAC name of [1-(3-chloro-4-fluorophenyl)cyclobutyl]methanamine (CID 117304698) is [1-(3-chloro-4-fluorophenyl)cyclobutyl]methanamine.
What is the SMILES notation for [1-(3-chloro-4-fluorophenyl)cyclobutyl]methanamine?
The canonical SMILES for [1-(3-chloro-4-fluorophenyl)cyclobutyl]methanamine is NCC1(c2ccc(F)c(Cl)c2)CCC1.
What is the InChIKey of [1-(3-chloro-4-fluorophenyl)cyclobutyl]methanamine?
The InChIKey is MMKFYFXDZOJHEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClFN/c12-9-6-8(2-3-10(9)13)11(7-14)4-1-5-11/h2-3,6H,1,4-5,7,14H2.
What are the key properties of [1-(3-chloro-4-fluorophenyl)cyclobutyl]methanamine?
[1-(3-chloro-4-fluorophenyl)cyclobutyl]methanamine has a molecular weight of 213.68 g/mol, XLogP of 2.86, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-chloro-4-fluorophenyl)cyclobutyl]methanamine is sourced from PubChem (CID 117304698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).