cyclobutyl-(2-fluoro-3-methylphenyl)methanamine

C12H16FN — CID 112630963

IUPACcyclobutyl-(2-fluoro-3-methylphenyl)methanamine
SMILESCc1cccc(C(N)C2CCC2)c1F
InChIInChI=1S/C12H16FN/c1-8-4-2-7-10(11(8)13)12(14)9-5-3-6-9/h2,4,7,9,12H,3,5-6,14H2,1H3
InChIKeyPASLDNYAWZHGTI-UHFFFAOYSA-N
MW193.27 g/mol
LogP2.93
Rot. Bonds2

About cyclobutyl-(2-fluoro-3-methylphenyl)methanamine

cyclobutyl-(2-fluoro-3-methylphenyl)methanamine (PubChem CID 112630963) has the molecular formula C12H16FN and a molecular weight of 193.27 g/mol. Its IUPAC name is cyclobutyl-(2-fluoro-3-methylphenyl)methanamine.

Molecular Properties

Compound Namecyclobutyl-(2-fluoro-3-methylphenyl)methanamine
PubChem CID112630963
Molecular FormulaC12H16FN
Molecular Weight193.27 g/mol
Exact Mass193.13
IUPAC Namecyclobutyl-(2-fluoro-3-methylphenyl)methanamine
SMILESCc1cccc(C(N)C2CCC2)c1F
InChIInChI=1S/C12H16FN/c1-8-4-2-7-10(11(8)13)12(14)9-5-3-6-9/h2,4,7,9,12H,3,5-6,14H2,1H3
InChIKeyPASLDNYAWZHGTI-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 ≤ 500193.27
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(3-bromo-2-fluorophenyl)-cyclobutylmethanamine
CID 103693583
(R)-(2-bromo-3-methylphenyl)-cyclobutylmethanamine
CID 130714890
(R)-cyclobutyl-(2,6-dimethylphenyl)methanamine
CID 130619614
(S)-cyclobutyl-(2,6-dimethylphenyl)methanamine
CID 131151319
(R)-(3-chloro-2-fluorophenyl)-cyclopentylmethanamine;hydrochloride
CID 171209319
2-[(R)-amino(cyclopentyl)methyl]-6-methylphenol;hydrochloride
CID 171212510
(R)-cyclopropyl-(2,3-dimethylphenyl)methanamine
CID 55278882
cyclopentyl-(2-fluoro-3-methylphenyl)methanol
CID 115840644
3-[amino(cyclobutyl)methyl]-2-methylphenol
CID 130061106
(S)-cyclopentyl-[2-fluoro-3-(trifluoromethyl)phenyl]methanamine
CID 171227390
[2-cyclobutyl-1-(2-fluoro-3-methylphenyl)ethyl]hydrazine
CID 105310166
[(2-fluoro-3-methylphenyl)-(3-methylcyclohexyl)methyl]hydrazine
CID 105313617

Frequently Asked Questions

What is the IUPAC name of cyclobutyl-(2-fluoro-3-methylphenyl)methanamine?
The IUPAC name of cyclobutyl-(2-fluoro-3-methylphenyl)methanamine (CID 112630963) is cyclobutyl-(2-fluoro-3-methylphenyl)methanamine.
What is the SMILES notation for cyclobutyl-(2-fluoro-3-methylphenyl)methanamine?
The canonical SMILES for cyclobutyl-(2-fluoro-3-methylphenyl)methanamine is Cc1cccc(C(N)C2CCC2)c1F.
What is the InChIKey of cyclobutyl-(2-fluoro-3-methylphenyl)methanamine?
The InChIKey is PASLDNYAWZHGTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FN/c1-8-4-2-7-10(11(8)13)12(14)9-5-3-6-9/h2,4,7,9,12H,3,5-6,14H2,1H3.
What are the key properties of cyclobutyl-(2-fluoro-3-methylphenyl)methanamine?
cyclobutyl-(2-fluoro-3-methylphenyl)methanamine has a molecular weight of 193.27 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-3-methylphenyl)methanamine is sourced from PubChem (CID 112630963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).