cyclobutyl-(2-fluoro-5-methylphenyl)methanamine

C12H16FN — CID 64986676

IUPACcyclobutyl-(2-fluoro-5-methylphenyl)methanamine
SMILESCc1ccc(F)c(C(N)C2CCC2)c1
InChIInChI=1S/C12H16FN/c1-8-5-6-11(13)10(7-8)12(14)9-3-2-4-9/h5-7,9,12H,2-4,14H2,1H3
InChIKeyQQDBHPQNGVBXSL-UHFFFAOYSA-N
MW193.26 g/mol
LogP2.93
Rot. Bonds2

About cyclobutyl-(2-fluoro-5-methylphenyl)methanamine

cyclobutyl-(2-fluoro-5-methylphenyl)methanamine (PubChem CID 64986676) has the molecular formula C12H16FN and a molecular weight of 193.26 g/mol. Its IUPAC name is cyclobutyl-(2-fluoro-5-methylphenyl)methanamine.

Molecular Properties

Compound Namecyclobutyl-(2-fluoro-5-methylphenyl)methanamine
PubChem CID64986676
Molecular FormulaC12H16FN
Molecular Weight193.26 g/mol
Exact Mass193.13
IUPAC Namecyclobutyl-(2-fluoro-5-methylphenyl)methanamine
SMILESCc1ccc(F)c(C(N)C2CCC2)c1
InChIInChI=1S/C12H16FN/c1-8-5-6-11(13)10(7-8)12(14)9-3-2-4-9/h5-7,9,12H,2-4,14H2,1H3
InChIKeyQQDBHPQNGVBXSL-UHFFFAOYSA-N
XLogP2.93
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.26
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(S)-(2-fluoro-5-methylphenyl)-(oxan-4-yl)methanamine;hydrochloride
CID 171241011
(R)-(2-fluoro-5-methylphenyl)-(oxan-4-yl)methanamine;hydrochloride
CID 171247730
(S)-cyclopentyl-(2-fluoro-4-methylphenyl)methanamine
CID 131545963
(S)-cyclopentyl-(2-fluoro-4-methylphenyl)methanamine;hydrochloride
CID 171221506
cyclohexyl-(2-fluoro-4-methylphenyl)methanamine
CID 114981199
2-[(R)-amino(cyclobutyl)methyl]-4-methylphenol
CID 130715159
(R)-cyclobutyl-(2-fluoro-5-iodophenyl)methanamine;hydrochloride
CID 171216193
(R)-(5-chloro-2-fluorophenyl)-cyclohexylmethanamine;hydrochloride
CID 171202097
(R)-cyclobutyl-(2,4-dimethylphenyl)methanamine;hydrochloride
CID 171213154
(S)-cyclopentyl-(2-fluoro-5-iodophenyl)methanamine
CID 131551788
(S)-(2-chloro-4-methylphenyl)-cyclobutylmethanamine
CID 99737681
2-[(R)-amino(cyclobutyl)methyl]-5-methylphenol
CID 130606689

Frequently Asked Questions

What is the IUPAC name of cyclobutyl-(2-fluoro-5-methylphenyl)methanamine?
The IUPAC name of cyclobutyl-(2-fluoro-5-methylphenyl)methanamine (CID 64986676) is cyclobutyl-(2-fluoro-5-methylphenyl)methanamine.
What is the SMILES notation for cyclobutyl-(2-fluoro-5-methylphenyl)methanamine?
The canonical SMILES for cyclobutyl-(2-fluoro-5-methylphenyl)methanamine is Cc1ccc(F)c(C(N)C2CCC2)c1.
What is the InChIKey of cyclobutyl-(2-fluoro-5-methylphenyl)methanamine?
The InChIKey is QQDBHPQNGVBXSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FN/c1-8-5-6-11(13)10(7-8)12(14)9-3-2-4-9/h5-7,9,12H,2-4,14H2,1H3.
What are the key properties of cyclobutyl-(2-fluoro-5-methylphenyl)methanamine?
cyclobutyl-(2-fluoro-5-methylphenyl)methanamine has a molecular weight of 193.26 g/mol, XLogP of 2.93, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cyclobutyl-(2-fluoro-5-methylphenyl)methanamine is sourced from PubChem (CID 64986676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).