3-(5-bromo-2-methylphenyl)-2-fluoro-2-methylpropan-1-amine

C11H15BrFN — CID 130655700

IUPAC3-(5-bromo-2-methylphenyl)-2-fluoro-2-methylpropan-1-amine
SMILESCc1ccc(Br)cc1CC(C)(F)CN
InChIInChI=1S/C11H15BrFN/c1-8-3-4-10(12)5-9(8)6-11(2,13)7-14/h3-5H,6-7,14H2,1-2H3
InChIKeyGLPCCTBCKDOSGZ-UHFFFAOYSA-N
MW260.15 g/mol
LogP2.99
Rot. Bonds3

About 3-(5-bromo-2-methylphenyl)-2-fluoro-2-methylpropan-1-amine

3-(5-bromo-2-methylphenyl)-2-fluoro-2-methylpropan-1-amine (PubChem CID 130655700) has the molecular formula C11H15BrFN and a molecular weight of 260.15 g/mol. Its IUPAC name is 3-(5-bromo-2-methylphenyl)-2-fluoro-2-methylpropan-1-amine.

Molecular Properties

Compound Name3-(5-bromo-2-methylphenyl)-2-fluoro-2-methylpropan-1-amine
PubChem CID130655700
Molecular FormulaC11H15BrFN
Molecular Weight260.15 g/mol
Exact Mass259.04
IUPAC Name3-(5-bromo-2-methylphenyl)-2-fluoro-2-methylpropan-1-amine
SMILESCc1ccc(Br)cc1CC(C)(F)CN
InChIInChI=1S/C11H15BrFN/c1-8-3-4-10(12)5-9(8)6-11(2,13)7-14/h3-5H,6-7,14H2,1-2H3
InChIKeyGLPCCTBCKDOSGZ-UHFFFAOYSA-N
XLogP2.99
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.15
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-(4-bromo-2-fluorophenyl)-2-fluoro-2-methylpropan-1-amine
CID 112565168
3-(5-bromo-2-methoxyphenyl)-2-fluoro-2-methylpropan-1-amine
CID 112565229
2-fluoro-2-methyl-3-(2-methylphenyl)propan-1-amine
CID 84718573
(5-bromo-2-methylphenyl)methanamine;hydrochloride
CID 75481848
3-(5-bromo-2-methylphenyl)-2,2-dimethylpropanenitrile
CID 116927701
1-amino-2-(5-bromo-2-methylphenyl)propan-2-ol
CID 82647794
3-amino-N-[(5-bromo-2-methylphenyl)methyl]-N,2,2-trimethylpropanamide
CID 115154703
2-[(5-bromo-2-fluorophenyl)methyl]-2-methylbutan-1-amine
CID 62725310
N'-(5-bromo-2-methylphenyl)-2,2-dimethylpropane-1,3-diamine
CID 115199854
1-amino-3-(5-fluoro-2-methylphenyl)-2-methylpropan-2-ol
CID 105372977
1-(5-bromo-2-fluorophenyl)-2-methylpropan-2-amine
CID 62622009
4-(4-bromophenyl)-2-fluoro-2-methylbutan-1-amine
CID 84729556

Frequently Asked Questions

What is the IUPAC name of 3-(5-bromo-2-methylphenyl)-2-fluoro-2-methylpropan-1-amine?
The IUPAC name of 3-(5-bromo-2-methylphenyl)-2-fluoro-2-methylpropan-1-amine (CID 130655700) is 3-(5-bromo-2-methylphenyl)-2-fluoro-2-methylpropan-1-amine.
What is the SMILES notation for 3-(5-bromo-2-methylphenyl)-2-fluoro-2-methylpropan-1-amine?
The canonical SMILES for 3-(5-bromo-2-methylphenyl)-2-fluoro-2-methylpropan-1-amine is Cc1ccc(Br)cc1CC(C)(F)CN.
What is the InChIKey of 3-(5-bromo-2-methylphenyl)-2-fluoro-2-methylpropan-1-amine?
The InChIKey is GLPCCTBCKDOSGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrFN/c1-8-3-4-10(12)5-9(8)6-11(2,13)7-14/h3-5H,6-7,14H2,1-2H3.
What are the key properties of 3-(5-bromo-2-methylphenyl)-2-fluoro-2-methylpropan-1-amine?
3-(5-bromo-2-methylphenyl)-2-fluoro-2-methylpropan-1-amine has a molecular weight of 260.15 g/mol, XLogP of 2.99, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-bromo-2-methylphenyl)-2-fluoro-2-methylpropan-1-amine is sourced from PubChem (CID 130655700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).