2-(3-fluoro-2-methoxyphenyl)propan-1-amine;hydrobromide

C10H15BrFNO — CID 117414447

IUPAC2-(3-fluoro-2-methoxyphenyl)propan-1-amine;hydrobromide
SMILESBr.COc1c(F)cccc1C(C)CN
InChIInChI=1S/C10H14FNO.BrH/c1-7(6-12)8-4-3-5-9(11)10(8)13-2;/h3-5,7H,6,12H2,1-2H3;1H
InChIKeyNJLILZOWCSXGAY-UHFFFAOYSA-N
MW264.14 g/mol
LogP2.47
Rot. Bonds3

About 2-(3-fluoro-2-methoxyphenyl)propan-1-amine;hydrobromide

2-(3-fluoro-2-methoxyphenyl)propan-1-amine;hydrobromide (PubChem CID 117414447) has the molecular formula C10H15BrFNO and a molecular weight of 264.14 g/mol. Its IUPAC name is 2-(3-fluoro-2-methoxyphenyl)propan-1-amine;hydrobromide.

Molecular Properties

Compound Name2-(3-fluoro-2-methoxyphenyl)propan-1-amine;hydrobromide
PubChem CID117414447
Molecular FormulaC10H15BrFNO
Molecular Weight264.14 g/mol
Exact Mass263.03
IUPAC Name2-(3-fluoro-2-methoxyphenyl)propan-1-amine;hydrobromide
SMILESBr.COc1c(F)cccc1C(C)CN
InChIInChI=1S/C10H14FNO.BrH/c1-7(6-12)8-4-3-5-9(11)10(8)13-2;/h3-5,7H,6,12H2,1-2H3;1H
InChIKeyNJLILZOWCSXGAY-UHFFFAOYSA-N
XLogP2.47
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.14
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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2-[3-(fluoromethyl)-2-methoxyphenyl]propan-1-amine
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2-(2,3-dimethoxyphenyl)propan-1-amine;hydrochloride
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2-(3,5-difluoro-2-methoxyphenyl)propan-1-amine
CID 83880858
(1S)-1-(3-fluoro-2-methoxyphenyl)butane-1,4-diamine
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(1R)-1-(3-fluoro-2-methoxyphenyl)-2-methylbutan-1-amine;hydrochloride
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2-(3,6-difluoro-2-methoxyphenyl)propan-1-amine
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(1R,2R)-2-amino-1-(3-fluoro-2-methoxyphenyl)propan-1-ol
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2-(3-fluoro-2,4-dimethoxyphenyl)propan-1-amine
CID 84782781

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluoro-2-methoxyphenyl)propan-1-amine;hydrobromide?
The IUPAC name of 2-(3-fluoro-2-methoxyphenyl)propan-1-amine;hydrobromide (CID 117414447) is 2-(3-fluoro-2-methoxyphenyl)propan-1-amine;hydrobromide.
What is the SMILES notation for 2-(3-fluoro-2-methoxyphenyl)propan-1-amine;hydrobromide?
The canonical SMILES for 2-(3-fluoro-2-methoxyphenyl)propan-1-amine;hydrobromide is Br.COc1c(F)cccc1C(C)CN.
What is the InChIKey of 2-(3-fluoro-2-methoxyphenyl)propan-1-amine;hydrobromide?
The InChIKey is NJLILZOWCSXGAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14FNO.BrH/c1-7(6-12)8-4-3-5-9(11)10(8)13-2;/h3-5,7H,6,12H2,1-2H3;1H.
What are the key properties of 2-(3-fluoro-2-methoxyphenyl)propan-1-amine;hydrobromide?
2-(3-fluoro-2-methoxyphenyl)propan-1-amine;hydrobromide has a molecular weight of 264.14 g/mol, XLogP of 2.47, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluoro-2-methoxyphenyl)propan-1-amine;hydrobromide is sourced from PubChem (CID 117414447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).