[1-[2-chloro-4-(2-fluoropropan-2-yl)phenyl]cyclobutyl]methanamine

C14H19ClFN — CID 117393045

IUPAC[1-[2-chloro-4-(2-fluoropropan-2-yl)phenyl]cyclobutyl]methanamine
SMILESCC(C)(F)c1ccc(C2(CN)CCC2)c(Cl)c1
InChIInChI=1S/C14H19ClFN/c1-13(2,16)10-4-5-11(12(15)8-10)14(9-17)6-3-7-14/h4-5,8H,3,6-7,9,17H2,1-2H3
InChIKeyNLOHKGZORNYMMO-UHFFFAOYSA-N
MW255.76 g/mol
LogP3.92
Rot. Bonds3

About [1-[2-chloro-4-(2-fluoropropan-2-yl)phenyl]cyclobutyl]methanamine

[1-[2-chloro-4-(2-fluoropropan-2-yl)phenyl]cyclobutyl]methanamine (PubChem CID 117393045) has the molecular formula C14H19ClFN and a molecular weight of 255.76 g/mol. Its IUPAC name is [1-[2-chloro-4-(2-fluoropropan-2-yl)phenyl]cyclobutyl]methanamine.

Molecular Properties

Compound Name[1-[2-chloro-4-(2-fluoropropan-2-yl)phenyl]cyclobutyl]methanamine
PubChem CID117393045
Molecular FormulaC14H19ClFN
Molecular Weight255.76 g/mol
Exact Mass255.12
IUPAC Name[1-[2-chloro-4-(2-fluoropropan-2-yl)phenyl]cyclobutyl]methanamine
SMILESCC(C)(F)c1ccc(C2(CN)CCC2)c(Cl)c1
InChIInChI=1S/C14H19ClFN/c1-13(2,16)10-4-5-11(12(15)8-10)14(9-17)6-3-7-14/h4-5,8H,3,6-7,9,17H2,1-2H3
InChIKeyNLOHKGZORNYMMO-UHFFFAOYSA-N
XLogP3.92
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.76
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

[1-[2-chloro-4-(2-fluoropropan-2-yl)phenyl]cyclohexyl]methanamine
CID 117456606
1-[2-chloro-4-(2-fluoropropan-2-yl)phenyl]cyclobutan-1-amine
CID 117356588
[1-[2-chloro-4-(fluoromethyl)phenyl]cyclobutyl]methanamine
CID 117327861
[1-[3-(2-fluoropropan-2-yl)phenyl]cyclobutyl]methanamine
CID 117316856
[1-[5-(1,1-difluoroethyl)-2-fluorophenyl]cyclohexyl]methanamine
CID 117431184
[1-[2-methoxy-5-(trifluoromethyl)phenyl]cyclobutyl]methanamine
CID 117401404
[1-(6-chloro-1,3-benzodioxol-5-yl)cyclobutyl]methanamine
CID 117351900
1,2-dichloro-4-(2-fluoropropan-2-yl)benzene
CID 84674781
[1-(4-tert-butylphenyl)cyclobutyl]methanamine
CID 43378542
[1-[5-(2-fluoropropan-2-yl)-2,3-dimethoxyphenyl]cyclopentyl]methanamine
CID 117476110
[1-(5-chloro-4-fluoro-2-methylphenyl)cyclopentyl]methanamine
CID 117356576
[1-(5-chloro-2-methylsulfonylphenyl)cyclobutyl]methanamine
CID 117437284

Frequently Asked Questions

What is the IUPAC name of [1-[2-chloro-4-(2-fluoropropan-2-yl)phenyl]cyclobutyl]methanamine?
The IUPAC name of [1-[2-chloro-4-(2-fluoropropan-2-yl)phenyl]cyclobutyl]methanamine (CID 117393045) is [1-[2-chloro-4-(2-fluoropropan-2-yl)phenyl]cyclobutyl]methanamine.
What is the SMILES notation for [1-[2-chloro-4-(2-fluoropropan-2-yl)phenyl]cyclobutyl]methanamine?
The canonical SMILES for [1-[2-chloro-4-(2-fluoropropan-2-yl)phenyl]cyclobutyl]methanamine is CC(C)(F)c1ccc(C2(CN)CCC2)c(Cl)c1.
What is the InChIKey of [1-[2-chloro-4-(2-fluoropropan-2-yl)phenyl]cyclobutyl]methanamine?
The InChIKey is NLOHKGZORNYMMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClFN/c1-13(2,16)10-4-5-11(12(15)8-10)14(9-17)6-3-7-14/h4-5,8H,3,6-7,9,17H2,1-2H3.
What are the key properties of [1-[2-chloro-4-(2-fluoropropan-2-yl)phenyl]cyclobutyl]methanamine?
[1-[2-chloro-4-(2-fluoropropan-2-yl)phenyl]cyclobutyl]methanamine has a molecular weight of 255.76 g/mol, XLogP of 3.92, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-chloro-4-(2-fluoropropan-2-yl)phenyl]cyclobutyl]methanamine is sourced from PubChem (CID 117393045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).