1-[1-(3-chloro-4-fluorophenyl)cyclobutyl]-N-methylmethanamine

C12H15ClFN — CID 116963646

IUPAC1-[1-(3-chloro-4-fluorophenyl)cyclobutyl]-N-methylmethanamine
SMILESCNCC1(c2ccc(F)c(Cl)c2)CCC1
InChIInChI=1S/C12H15ClFN/c1-15-8-12(5-2-6-12)9-3-4-11(14)10(13)7-9/h3-4,7,15H,2,5-6,8H2,1H3
InChIKeyNQIAZGISEOCGFE-UHFFFAOYSA-N
MW227.71 g/mol
LogP3.12
Rot. Bonds3

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

1-[1-(3-chloro-4-fluorophenyl)cyclobutyl]-N-methylmethanamine (PubChem CID 116963646) has the molecular formula C12H15ClFN and a molecular weight of 227.71 g/mol. Its IUPAC name is 1-[1-(3-chloro-4-fluorophenyl)cyclobutyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[1-(3-chloro-4-fluorophenyl)cyclobutyl]-N-methylmethanamine
PubChem CID116963646
Molecular FormulaC12H15ClFN
Molecular Weight227.71 g/mol
Exact Mass227.09
IUPAC Name1-[1-(3-chloro-4-fluorophenyl)cyclobutyl]-N-methylmethanamine
SMILESCNCC1(c2ccc(F)c(Cl)c2)CCC1
InChIInChI=1S/C12H15ClFN/c1-15-8-12(5-2-6-12)9-3-4-11(14)10(13)7-9/h3-4,7,15H,2,5-6,8H2,1H3
InChIKeyNQIAZGISEOCGFE-UHFFFAOYSA-N
XLogP3.12
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.71
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

[1-(3-chloro-4-fluorophenyl)cyclobutyl]methanamine
CID 117304698
trans-(1S,3R)-3-(3,4-dichlorophenyl)-1-methyl-3-(methylaminomethyl)cyclohexan-1-ol
CID 122473356
1-[1-(4-fluorophenyl)cyclohexyl]-N-methylmethanamine
CID 58954797
[1-(3-chloro-4-fluorophenyl)cyclopropyl]methanamine;methanol
CID 143403316
N-methyl-1-(1-naphthalen-2-ylcyclobutyl)methanamine
CID 116963684
1-[4-(3,4-dichlorophenyl)-1-methylpiperidin-4-yl]-N-methylmethanamine
CID 69131262
1-[1-(3-chloro-4-fluorophenyl)cyclobutyl]-3-methylbutan-1-amine
CID 137333011
cis-(1R,3S)-3-(3,4-dichlorophenyl)-3-(methylaminomethyl)cyclohexan-1-ol;cis-(1S,3R)-3-(3,4-dichlorophenyl)-3-(methylaminomethyl)cyclohexan-1-ol
CID 161309621
1-(3-chloro-4-fluorophenyl)cyclobutan-1-amine;hydrochloride
CID 129033048
N-[[1-(3,4-dichlorophenyl)cyclopentyl]methyl]propan-1-amine
CID 63511575
1-[5-(4-chlorophenyl)spiro[2.3]hexan-5-yl]-N-methylmethanamine
CID 65008340
N-[[1-(4-chlorophenyl)cyclobutyl]methyl]propan-2-amine
CID 62595313

Frequently Asked Questions

What is the IUPAC name of 1-[1-(3-chloro-4-fluorophenyl)cyclobutyl]-N-methylmethanamine?
The IUPAC name of 1-[1-(3-chloro-4-fluorophenyl)cyclobutyl]-N-methylmethanamine (CID 116963646) is 1-[1-(3-chloro-4-fluorophenyl)cyclobutyl]-N-methylmethanamine.
What is the SMILES notation for 1-[1-(3-chloro-4-fluorophenyl)cyclobutyl]-N-methylmethanamine?
The canonical SMILES for 1-[1-(3-chloro-4-fluorophenyl)cyclobutyl]-N-methylmethanamine is CNCC1(c2ccc(F)c(Cl)c2)CCC1.
What is the InChIKey of 1-[1-(3-chloro-4-fluorophenyl)cyclobutyl]-N-methylmethanamine?
The InChIKey is NQIAZGISEOCGFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClFN/c1-15-8-12(5-2-6-12)9-3-4-11(14)10(13)7-9/h3-4,7,15H,2,5-6,8H2,1H3.
What are the key properties of 1-[1-(3-chloro-4-fluorophenyl)cyclobutyl]-N-methylmethanamine?
1-[1-(3-chloro-4-fluorophenyl)cyclobutyl]-N-methylmethanamine has a molecular weight of 227.71 g/mol, XLogP of 3.12, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3-chloro-4-fluorophenyl)cyclobutyl]-N-methylmethanamine is sourced from PubChem (CID 116963646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).