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

C11H15BrFNO — CID 112565229

IUPAC3-(5-bromo-2-methoxyphenyl)-2-fluoro-2-methylpropan-1-amine
SMILESCOc1ccc(Br)cc1CC(C)(F)CN
InChIInChI=1S/C11H15BrFNO/c1-11(13,7-14)6-8-5-9(12)3-4-10(8)15-2/h3-5H,6-7,14H2,1-2H3
InChIKeyJBDXNNRQUYSCSK-UHFFFAOYSA-N
MW276.15 g/mol
LogP2.69
Rot. Bonds4

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

3-(5-bromo-2-methoxyphenyl)-2-fluoro-2-methylpropan-1-amine (PubChem CID 112565229) has the molecular formula C11H15BrFNO and a molecular weight of 276.15 g/mol. Its IUPAC name is 3-(5-bromo-2-methoxyphenyl)-2-fluoro-2-methylpropan-1-amine.

Molecular Properties

Compound Name3-(5-bromo-2-methoxyphenyl)-2-fluoro-2-methylpropan-1-amine
PubChem CID112565229
Molecular FormulaC11H15BrFNO
Molecular Weight276.15 g/mol
Exact Mass275.03
IUPAC Name3-(5-bromo-2-methoxyphenyl)-2-fluoro-2-methylpropan-1-amine
SMILESCOc1ccc(Br)cc1CC(C)(F)CN
InChIInChI=1S/C11H15BrFNO/c1-11(13,7-14)6-8-5-9(12)3-4-10(8)15-2/h3-5H,6-7,14H2,1-2H3
InChIKeyJBDXNNRQUYSCSK-UHFFFAOYSA-N
XLogP2.69
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.15
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(5-bromo-2-methoxyphenyl)methyl]-2-methylbutan-1-amine
CID 62725313
3-(5-bromo-2-methylphenyl)-2-fluoro-2-methylpropan-1-amine
CID 130655700
4-bromo-2-(2-chloro-2-methylpropyl)-1-methoxybenzene
CID 4605776
3-(4-bromo-2-fluorophenyl)-2-fluoro-2-methylpropan-1-amine
CID 112565168
(2S)-1-amino-2-(5-bromo-2-methoxyphenyl)propan-2-ol
CID 93189117
4-bromo-2-(3-chloro-2-cyclopropyl-2-methylpropyl)-1-methoxybenzene
CID 83151167
(5-bromo-2-methoxyphenyl)methyl 2,2,2-trifluoroacetate
CID 91742074
3-(5-fluoro-2-methoxyphenyl)-2,2-dimethylpropan-1-amine
CID 82111061
2-[2,2-bis(bromomethyl)-3-methylbutyl]-4-bromo-1-methoxybenzene
CID 79455463
3-amino-N-[(5-bromo-2-methoxyphenyl)methyl]-2,2-dimethylpropanamide
CID 115154641
4-bromo-2-[4-(5-bromo-2-methoxyphenyl)butyl]-1-methoxybenzene
CID 10693794
1-(5-bromo-2-methoxyphenyl)-2-(2-fluorophenyl)butan-2-amine
CID 115996356

Frequently Asked Questions

What is the IUPAC name of 3-(5-bromo-2-methoxyphenyl)-2-fluoro-2-methylpropan-1-amine?
The IUPAC name of 3-(5-bromo-2-methoxyphenyl)-2-fluoro-2-methylpropan-1-amine (CID 112565229) is 3-(5-bromo-2-methoxyphenyl)-2-fluoro-2-methylpropan-1-amine.
What is the SMILES notation for 3-(5-bromo-2-methoxyphenyl)-2-fluoro-2-methylpropan-1-amine?
The canonical SMILES for 3-(5-bromo-2-methoxyphenyl)-2-fluoro-2-methylpropan-1-amine is COc1ccc(Br)cc1CC(C)(F)CN.
What is the InChIKey of 3-(5-bromo-2-methoxyphenyl)-2-fluoro-2-methylpropan-1-amine?
The InChIKey is JBDXNNRQUYSCSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrFNO/c1-11(13,7-14)6-8-5-9(12)3-4-10(8)15-2/h3-5H,6-7,14H2,1-2H3.
What are the key properties of 3-(5-bromo-2-methoxyphenyl)-2-fluoro-2-methylpropan-1-amine?
3-(5-bromo-2-methoxyphenyl)-2-fluoro-2-methylpropan-1-amine has a molecular weight of 276.15 g/mol, XLogP of 2.69, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-bromo-2-methoxyphenyl)-2-fluoro-2-methylpropan-1-amine is sourced from PubChem (CID 112565229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).