(5-bromo-2-fluorophenyl)-(2-methyloxolan-3-yl)methanamine

C12H15BrFNO — CID 105011945

IUPAC(5-bromo-2-fluorophenyl)-(2-methyloxolan-3-yl)methanamine
SMILESCC1OCCC1C(N)c1cc(Br)ccc1F
InChIInChI=1S/C12H15BrFNO/c1-7-9(4-5-16-7)12(15)10-6-8(13)2-3-11(10)14/h2-3,6-7,9,12H,4-5,15H2,1H3
InChIKeyCJYYINCXWDFLHJ-UHFFFAOYSA-N
MW288.16 g/mol
LogP3.01
Rot. Bonds2

About (5-bromo-2-fluorophenyl)-(2-methyloxolan-3-yl)methanamine

(5-bromo-2-fluorophenyl)-(2-methyloxolan-3-yl)methanamine (PubChem CID 105011945) has the molecular formula C12H15BrFNO and a molecular weight of 288.16 g/mol. Its IUPAC name is (5-bromo-2-fluorophenyl)-(2-methyloxolan-3-yl)methanamine.

Molecular Properties

Compound Name(5-bromo-2-fluorophenyl)-(2-methyloxolan-3-yl)methanamine
PubChem CID105011945
Molecular FormulaC12H15BrFNO
Molecular Weight288.16 g/mol
Exact Mass287.03
IUPAC Name(5-bromo-2-fluorophenyl)-(2-methyloxolan-3-yl)methanamine
SMILESCC1OCCC1C(N)c1cc(Br)ccc1F
InChIInChI=1S/C12H15BrFNO/c1-7-9(4-5-16-7)12(15)10-6-8(13)2-3-11(10)14/h2-3,6-7,9,12H,4-5,15H2,1H3
InChIKeyCJYYINCXWDFLHJ-UHFFFAOYSA-N
XLogP3.01
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.16
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2-methyloxolan-3-yl)-(2,3,4-trifluorophenyl)methanamine
CID 115855316
N-[1-(5-bromo-2-fluorophenyl)ethyl]-2-methyloxolan-3-amine
CID 82962821
(2-chloro-5-fluorophenyl)-(2-methyloxolan-3-yl)methanamine
CID 105397164
(5-bromo-2-fluorophenyl)-cyclopropylmethanamine;hydrochloride
CID 155487191
4-[amino-(5-bromo-2-fluorophenyl)methyl]cyclohexan-1-ol
CID 116941875
(5-bromo-2-fluorophenyl)-cyclohexylmethanamine
CID 79742739
(4-fluorophenyl)-(2-methyloxolan-3-yl)methanamine
CID 79757879
(R)-(5-bromo-2-fluorophenyl)-cyclohexylmethanamine
CID 171200620
(5-bromo-2-fluorophenyl)-(4,4-difluorocyclohexyl)methanamine
CID 105167450
(5-bromo-2-fluorophenyl)-(3-methyloxolan-2-yl)methanol
CID 115820768
(5-bromo-2-fluorophenyl)-(3,4-dihydro-2H-chromen-4-yl)methanamine
CID 79742581
(2-chlorophenyl)-(2-methyloxolan-3-yl)methanamine
CID 115801573

Frequently Asked Questions

What is the IUPAC name of (5-bromo-2-fluorophenyl)-(2-methyloxolan-3-yl)methanamine?
The IUPAC name of (5-bromo-2-fluorophenyl)-(2-methyloxolan-3-yl)methanamine (CID 105011945) is (5-bromo-2-fluorophenyl)-(2-methyloxolan-3-yl)methanamine.
What is the SMILES notation for (5-bromo-2-fluorophenyl)-(2-methyloxolan-3-yl)methanamine?
The canonical SMILES for (5-bromo-2-fluorophenyl)-(2-methyloxolan-3-yl)methanamine is CC1OCCC1C(N)c1cc(Br)ccc1F.
What is the InChIKey of (5-bromo-2-fluorophenyl)-(2-methyloxolan-3-yl)methanamine?
The InChIKey is CJYYINCXWDFLHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrFNO/c1-7-9(4-5-16-7)12(15)10-6-8(13)2-3-11(10)14/h2-3,6-7,9,12H,4-5,15H2,1H3.
What are the key properties of (5-bromo-2-fluorophenyl)-(2-methyloxolan-3-yl)methanamine?
(5-bromo-2-fluorophenyl)-(2-methyloxolan-3-yl)methanamine has a molecular weight of 288.16 g/mol, XLogP of 3.01, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-2-fluorophenyl)-(2-methyloxolan-3-yl)methanamine is sourced from PubChem (CID 105011945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).