(R)-(2-bromo-3-methylphenyl)-cyclobutylmethanamine

C12H16BrN — CID 130714890

IUPAC(R)-(2-bromo-3-methylphenyl)-cyclobutylmethanamine
SMILESCc1cccc([C@H](N)C2CCC2)c1Br
InChIInChI=1S/C12H16BrN/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/t12-/m1/s1
InChIKeyZEMLTLHIJQTIEK-GFCCVEGCSA-N
MW254.17 g/mol
LogP3.56
Rot. Bonds2

About (R)-(2-bromo-3-methylphenyl)-cyclobutylmethanamine

(R)-(2-bromo-3-methylphenyl)-cyclobutylmethanamine (PubChem CID 130714890) has the molecular formula C12H16BrN and a molecular weight of 254.17 g/mol. Its IUPAC name is (R)-(2-bromo-3-methylphenyl)-cyclobutylmethanamine.

Molecular Properties

Compound Name(R)-(2-bromo-3-methylphenyl)-cyclobutylmethanamine
PubChem CID130714890
Molecular FormulaC12H16BrN
Molecular Weight254.17 g/mol
Exact Mass253.05
IUPAC Name(R)-(2-bromo-3-methylphenyl)-cyclobutylmethanamine
SMILESCc1cccc([C@H](N)C2CCC2)c1Br
InChIInChI=1S/C12H16BrN/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/t12-/m1/s1
InChIKeyZEMLTLHIJQTIEK-GFCCVEGCSA-N
XLogP3.56
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.17
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(2-bromo-3-methylphenyl)-(3-methylsulfonylcyclohexyl)methanamine
CID 107985228
cyclobutyl-(2-fluoro-3-methylphenyl)methanamine
CID 112630963
(R)-cyclobutyl-(2,6-dimethylphenyl)methanamine
CID 130619614
(S)-cyclobutyl-(2,6-dimethylphenyl)methanamine
CID 131151319
(R)-(2-bromo-3-fluorophenyl)-cyclopentylmethanamine
CID 131483839
(2-bromo-3-fluorophenyl)-cyclopentylmethanamine
CID 112631047
2-[(R)-amino(cyclopentyl)methyl]-6-methylphenol;hydrochloride
CID 171212510
(R)-cyclopropyl-(2,3-dimethylphenyl)methanamine
CID 55278882
3-[amino(cyclobutyl)methyl]-2-methylphenol
CID 130061106
(R)-(2-bromophenyl)-cyclobutylmethanamine;hydrochloride
CID 171198060
(2-bromo-3-iodophenyl)-cyclopropylmethanamine
CID 130043777
(S)-(3-bromo-2-chlorophenyl)-cyclobutylmethanamine
CID 130612686

Frequently Asked Questions

What is the IUPAC name of (R)-(2-bromo-3-methylphenyl)-cyclobutylmethanamine?
The IUPAC name of (R)-(2-bromo-3-methylphenyl)-cyclobutylmethanamine (CID 130714890) is (R)-(2-bromo-3-methylphenyl)-cyclobutylmethanamine.
What is the SMILES notation for (R)-(2-bromo-3-methylphenyl)-cyclobutylmethanamine?
The canonical SMILES for (R)-(2-bromo-3-methylphenyl)-cyclobutylmethanamine is Cc1cccc([C@H](N)C2CCC2)c1Br.
What is the InChIKey of (R)-(2-bromo-3-methylphenyl)-cyclobutylmethanamine?
The InChIKey is ZEMLTLHIJQTIEK-GFCCVEGCSA-N. The full InChI is InChI=1S/C12H16BrN/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/t12-/m1/s1.
What are the key properties of (R)-(2-bromo-3-methylphenyl)-cyclobutylmethanamine?
(R)-(2-bromo-3-methylphenyl)-cyclobutylmethanamine has a molecular weight of 254.17 g/mol, XLogP of 3.56, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-(2-bromo-3-methylphenyl)-cyclobutylmethanamine is sourced from PubChem (CID 130714890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).