(R)-cyclobutyl-(3-fluoro-5-methylphenyl)methanamine

C12H16FN — CID 130054445

IUPAC(R)-cyclobutyl-(3-fluoro-5-methylphenyl)methanamine
SMILESCc1cc(F)cc([C@H](N)C2CCC2)c1
InChIInChI=1S/C12H16FN/c1-8-5-10(7-11(13)6-8)12(14)9-3-2-4-9/h5-7,9,12H,2-4,14H2,1H3/t12-/m1/s1
InChIKeyRZLFQDPRDVYNTF-GFCCVEGCSA-N
MW193.26 g/mol
LogP2.93
Rot. Bonds2

About (R)-cyclobutyl-(3-fluoro-5-methylphenyl)methanamine

(R)-cyclobutyl-(3-fluoro-5-methylphenyl)methanamine (PubChem CID 130054445) has the molecular formula C12H16FN and a molecular weight of 193.26 g/mol. Its IUPAC name is (R)-cyclobutyl-(3-fluoro-5-methylphenyl)methanamine.

Molecular Properties

Compound Name(R)-cyclobutyl-(3-fluoro-5-methylphenyl)methanamine
PubChem CID130054445
Molecular FormulaC12H16FN
Molecular Weight193.26 g/mol
Exact Mass193.13
IUPAC Name(R)-cyclobutyl-(3-fluoro-5-methylphenyl)methanamine
SMILESCc1cc(F)cc([C@H](N)C2CCC2)c1
InChIInChI=1S/C12H16FN/c1-8-5-10(7-11(13)6-8)12(14)9-3-2-4-9/h5-7,9,12H,2-4,14H2,1H3/t12-/m1/s1
InChIKeyRZLFQDPRDVYNTF-GFCCVEGCSA-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)-cyclobutyl-(3,5-dimethylphenyl)methanamine
CID 130055056
(3-fluoro-5-methylphenyl)-(oxan-3-yl)methanamine
CID 79703753
(R)-cyclohexyl-(3,5-difluorophenyl)methanamine;hydrochloride
CID 171204514
(3-bromo-5-methylphenyl)-cyclobutylmethanamine
CID 112631023
3-[(R)-amino(cyclobutyl)methyl]-5-methylphenol
CID 131036736
cyclopropyl-(3,5-difluorophenyl)methanamine
CID 62789483
(3-fluoro-5-methylphenyl)-(3-methylcyclopentyl)methanamine
CID 79704869
cycloheptyl-(3-fluoro-5-methylphenyl)methanol
CID 79703242
1-cyclobutyl-1-(3-fluoro-5-methylphenyl)-N-methylmethanamine
CID 79705578
cyclohexyl-(4-fluoro-3,5-dimethylphenyl)methanamine
CID 65299040
(3,5-dimethylphenyl)-(4-methylcyclohexyl)methanamine
CID 63415986
(R)-cyclobutyl-(3-fluorophenyl)methanamine;hydrochloride
CID 171199154

Frequently Asked Questions

What is the IUPAC name of (R)-cyclobutyl-(3-fluoro-5-methylphenyl)methanamine?
The IUPAC name of (R)-cyclobutyl-(3-fluoro-5-methylphenyl)methanamine (CID 130054445) is (R)-cyclobutyl-(3-fluoro-5-methylphenyl)methanamine.
What is the SMILES notation for (R)-cyclobutyl-(3-fluoro-5-methylphenyl)methanamine?
The canonical SMILES for (R)-cyclobutyl-(3-fluoro-5-methylphenyl)methanamine is Cc1cc(F)cc([C@H](N)C2CCC2)c1.
What is the InChIKey of (R)-cyclobutyl-(3-fluoro-5-methylphenyl)methanamine?
The InChIKey is RZLFQDPRDVYNTF-GFCCVEGCSA-N. The full InChI is InChI=1S/C12H16FN/c1-8-5-10(7-11(13)6-8)12(14)9-3-2-4-9/h5-7,9,12H,2-4,14H2,1H3/t12-/m1/s1.
What are the key properties of (R)-cyclobutyl-(3-fluoro-5-methylphenyl)methanamine?
(R)-cyclobutyl-(3-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 (R)-cyclobutyl-(3-fluoro-5-methylphenyl)methanamine is sourced from PubChem (CID 130054445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).