[1-(3-chloro-2-fluorophenyl)-2-methylcyclobutyl]methanamine

C12H15ClFN — CID 82802127

IUPAC[1-(3-chloro-2-fluorophenyl)-2-methylcyclobutyl]methanamine
SMILESCC1CCC1(CN)c1cccc(Cl)c1F
InChIInChI=1S/C12H15ClFN/c1-8-5-6-12(8,7-15)9-3-2-4-10(13)11(9)14/h2-4,8H,5-7,15H2,1H3
InChIKeyFVMVNTMKFPWFOK-UHFFFAOYSA-N
MW227.71 g/mol
LogP3.11
Rot. Bonds2

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

[1-(3-chloro-2-fluorophenyl)-2-methylcyclobutyl]methanamine (PubChem CID 82802127) has the molecular formula C12H15ClFN and a molecular weight of 227.71 g/mol. Its IUPAC name is [1-(3-chloro-2-fluorophenyl)-2-methylcyclobutyl]methanamine.

Molecular Properties

Compound Name[1-(3-chloro-2-fluorophenyl)-2-methylcyclobutyl]methanamine
PubChem CID82802127
Molecular FormulaC12H15ClFN
Molecular Weight227.71 g/mol
Exact Mass227.09
IUPAC Name[1-(3-chloro-2-fluorophenyl)-2-methylcyclobutyl]methanamine
SMILESCC1CCC1(CN)c1cccc(Cl)c1F
InChIInChI=1S/C12H15ClFN/c1-8-5-6-12(8,7-15)9-3-2-4-10(13)11(9)14/h2-4,8H,5-7,15H2,1H3
InChIKeyFVMVNTMKFPWFOK-UHFFFAOYSA-N
XLogP3.11
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.71
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

[5-(3-chloro-2-fluorophenyl)spiro[2.3]hexan-5-yl]methanamine
CID 82802471
N-[[1-(2-chloro-6-fluorophenyl)-2-methylcyclobutyl]methyl]propan-1-amine
CID 66429947
1-(2-chlorophenyl)-2-methylcyclobutan-1-amine
CID 66431566
1-(2-chloro-6-fluorophenyl)-2-methylcyclobutan-1-amine
CID 66431353
N-[[1-(3-chloro-2-fluorophenyl)cyclobutyl]methyl]cyclopropanamine
CID 82805310
1-(3-chloro-2-fluorophenyl)cyclopropane-1-carboxamide
CID 89184004
2-(3-chloro-2-fluorophenyl)-6-hydroxy-2-methylcyclohexan-1-one
CID 158142988
3-(3-chloro-2-fluorophenyl)azetidin-3-amine
CID 166608874
N-[[5-(3-chloro-2-fluorophenyl)spiro[2.3]hexan-5-yl]methyl]cyclopropanamine
CID 82806742
[(1S,2R)-1-(3,4-dichlorophenyl)-2-methylcyclohexyl]methanamine;[(1R,2S)-1-(3,4-dichlorophenyl)-2-methylcyclohexyl]methanamine;dihydrochloride
CID 161074997
1-amino-3-(3-chloro-2-fluorophenyl)-2-cyclopropylpropan-2-ol
CID 102857003
1-[(3-chloro-2-fluorophenyl)methyl]-4-methyl-3,4-dihydro-2H-naphthalen-1-ol
CID 102856985

Frequently Asked Questions

What is the IUPAC name of [1-(3-chloro-2-fluorophenyl)-2-methylcyclobutyl]methanamine?
The IUPAC name of [1-(3-chloro-2-fluorophenyl)-2-methylcyclobutyl]methanamine (CID 82802127) is [1-(3-chloro-2-fluorophenyl)-2-methylcyclobutyl]methanamine.
What is the SMILES notation for [1-(3-chloro-2-fluorophenyl)-2-methylcyclobutyl]methanamine?
The canonical SMILES for [1-(3-chloro-2-fluorophenyl)-2-methylcyclobutyl]methanamine is CC1CCC1(CN)c1cccc(Cl)c1F.
What is the InChIKey of [1-(3-chloro-2-fluorophenyl)-2-methylcyclobutyl]methanamine?
The InChIKey is FVMVNTMKFPWFOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClFN/c1-8-5-6-12(8,7-15)9-3-2-4-10(13)11(9)14/h2-4,8H,5-7,15H2,1H3.
What are the key properties of [1-(3-chloro-2-fluorophenyl)-2-methylcyclobutyl]methanamine?
[1-(3-chloro-2-fluorophenyl)-2-methylcyclobutyl]methanamine has a molecular weight of 227.71 g/mol, XLogP of 3.11, 2 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)-2-methylcyclobutyl]methanamine is sourced from PubChem (CID 82802127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).