[1-[(3-chloro-2-fluorophenyl)methyl]cyclobutyl]methanamine

C12H15ClFN — CID 102858966

IUPAC[1-[(3-chloro-2-fluorophenyl)methyl]cyclobutyl]methanamine
SMILESNCC1(Cc2cccc(Cl)c2F)CCC1
InChIInChI=1S/C12H15ClFN/c13-10-4-1-3-9(11(10)14)7-12(8-15)5-2-6-12/h1,3-4H,2,5-8,15H2
InChIKeyMZXFXTIXYYBEOF-UHFFFAOYSA-N
MW227.71 g/mol
LogP3.15
Rot. Bonds3

About [1-[(3-chloro-2-fluorophenyl)methyl]cyclobutyl]methanamine

[1-[(3-chloro-2-fluorophenyl)methyl]cyclobutyl]methanamine (PubChem CID 102858966) has the molecular formula C12H15ClFN and a molecular weight of 227.71 g/mol. Its IUPAC name is [1-[(3-chloro-2-fluorophenyl)methyl]cyclobutyl]methanamine.

Molecular Properties

Compound Name[1-[(3-chloro-2-fluorophenyl)methyl]cyclobutyl]methanamine
PubChem CID102858966
Molecular FormulaC12H15ClFN
Molecular Weight227.71 g/mol
Exact Mass227.09
IUPAC Name[1-[(3-chloro-2-fluorophenyl)methyl]cyclobutyl]methanamine
SMILESNCC1(Cc2cccc(Cl)c2F)CCC1
InChIInChI=1S/C12H15ClFN/c13-10-4-1-3-9(11(10)14)7-12(8-15)5-2-6-12/h1,3-4H,2,5-8,15H2
InChIKeyMZXFXTIXYYBEOF-UHFFFAOYSA-N
XLogP3.15
TPSA26.02 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 ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

[1-[(3-chloro-2-fluorophenyl)methyl]cyclopentyl]methanol
CID 102863615
[1-[(3-chloro-2-fluorophenyl)methyl]cyclohexyl]methanol
CID 102863614
1-[[1-(bromomethyl)cyclohexyl]methyl]-3-chloro-2-fluorobenzene
CID 102863764
[1-[(2,3-difluorophenyl)methyl]cycloheptyl]methanamine
CID 65391305
N-[[1-[(3-chloro-2-fluorophenyl)methyl]cyclobutyl]methyl]propan-1-amine
CID 102858970
[1-[(2-chloro-3-fluorophenyl)methyl]cyclopropyl]methanamine
CID 112654232
1-[1-[(3-chloro-2-fluorophenyl)methyl]cyclohexyl]-N-methylmethanamine
CID 102858759
N-[[1-[(3-chloro-2-fluorophenyl)methyl]cyclohexyl]methyl]propan-1-amine
CID 102858764
N-[[1-[(3-chloro-2-fluorophenyl)methyl]cyclopropyl]methyl]propan-2-amine
CID 102859001
tert-butyl 3-(aminomethyl)-3-[(3-chloro-2-fluorophenyl)methyl]piperidine-1-carboxylate
CID 114280713
1-[(3-chloro-2-fluorophenyl)methyl]cyclopropan-1-ol
CID 117289578
[1-[(2,4-dichlorophenyl)methyl]cyclobutyl]methanamine
CID 65194915

Frequently Asked Questions

What is the IUPAC name of [1-[(3-chloro-2-fluorophenyl)methyl]cyclobutyl]methanamine?
The IUPAC name of [1-[(3-chloro-2-fluorophenyl)methyl]cyclobutyl]methanamine (CID 102858966) is [1-[(3-chloro-2-fluorophenyl)methyl]cyclobutyl]methanamine.
What is the SMILES notation for [1-[(3-chloro-2-fluorophenyl)methyl]cyclobutyl]methanamine?
The canonical SMILES for [1-[(3-chloro-2-fluorophenyl)methyl]cyclobutyl]methanamine is NCC1(Cc2cccc(Cl)c2F)CCC1.
What is the InChIKey of [1-[(3-chloro-2-fluorophenyl)methyl]cyclobutyl]methanamine?
The InChIKey is MZXFXTIXYYBEOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClFN/c13-10-4-1-3-9(11(10)14)7-12(8-15)5-2-6-12/h1,3-4H,2,5-8,15H2.
What are the key properties of [1-[(3-chloro-2-fluorophenyl)methyl]cyclobutyl]methanamine?
[1-[(3-chloro-2-fluorophenyl)methyl]cyclobutyl]methanamine has a molecular weight of 227.71 g/mol, XLogP of 3.15, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(3-chloro-2-fluorophenyl)methyl]cyclobutyl]methanamine is sourced from PubChem (CID 102858966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).