2-(3-bromo-4-fluoro-2-methoxyphenyl)propan-1-amine

C10H13BrFNO — CID 83902053

IUPAC2-(3-bromo-4-fluoro-2-methoxyphenyl)propan-1-amine
SMILESCOc1c(C(C)CN)ccc(F)c1Br
InChIInChI=1S/C10H13BrFNO/c1-6(5-13)7-3-4-8(12)9(11)10(7)14-2/h3-4,6H,5,13H2,1-2H3
InChIKeyBOPNZDXEKSMBNC-UHFFFAOYSA-N
MW262.12 g/mol
LogP2.66
Rot. Bonds3

About 2-(3-bromo-4-fluoro-2-methoxyphenyl)propan-1-amine

2-(3-bromo-4-fluoro-2-methoxyphenyl)propan-1-amine (PubChem CID 83902053) has the molecular formula C10H13BrFNO and a molecular weight of 262.12 g/mol. Its IUPAC name is 2-(3-bromo-4-fluoro-2-methoxyphenyl)propan-1-amine.

Molecular Properties

Compound Name2-(3-bromo-4-fluoro-2-methoxyphenyl)propan-1-amine
PubChem CID83902053
Molecular FormulaC10H13BrFNO
Molecular Weight262.12 g/mol
Exact Mass261.02
IUPAC Name2-(3-bromo-4-fluoro-2-methoxyphenyl)propan-1-amine
SMILESCOc1c(C(C)CN)ccc(F)c1Br
InChIInChI=1S/C10H13BrFNO/c1-6(5-13)7-3-4-8(12)9(11)10(7)14-2/h3-4,6H,5,13H2,1-2H3
InChIKeyBOPNZDXEKSMBNC-UHFFFAOYSA-N
XLogP2.66
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.12
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-fluoro-2,4-dimethoxyphenyl)propan-1-amine
CID 84782781
2-(3-fluoro-2-methoxyphenyl)propan-1-amine;hydrobromide
CID 117414447
2-(3,6-difluoro-2-methoxyphenyl)propan-1-amine
CID 117290019
ethyl 2-(3-bromo-4-fluoro-2-methoxyphenyl)-2-hydroxyacetate
CID 117492087
2-(3,5-difluoro-2-methoxyphenyl)propan-1-amine
CID 83880858
2-(2-bromo-3-fluoro-5,6-dimethoxyphenyl)propan-1-amine
CID 117471666
2-(3-fluoro-2-methoxy-4-methylsulfonylphenyl)propan-1-amine
CID 117407315
2-(2-methoxy-3-propan-2-ylphenyl)propan-1-amine
CID 117296766
2-(2-ethoxy-3,4-dimethoxyphenyl)propan-1-amine
CID 117351336
2-(2,4-dimethoxy-3-propan-2-ylphenyl)propan-1-amine
CID 117347645
6-(1-aminopropan-2-yl)-4-bromo-2-fluoro-3-methoxyphenol
CID 84811300
2-(2-bromo-3-fluoro-6-methylphenyl)propan-1-amine
CID 117367099

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-4-fluoro-2-methoxyphenyl)propan-1-amine?
The IUPAC name of 2-(3-bromo-4-fluoro-2-methoxyphenyl)propan-1-amine (CID 83902053) is 2-(3-bromo-4-fluoro-2-methoxyphenyl)propan-1-amine.
What is the SMILES notation for 2-(3-bromo-4-fluoro-2-methoxyphenyl)propan-1-amine?
The canonical SMILES for 2-(3-bromo-4-fluoro-2-methoxyphenyl)propan-1-amine is COc1c(C(C)CN)ccc(F)c1Br.
What is the InChIKey of 2-(3-bromo-4-fluoro-2-methoxyphenyl)propan-1-amine?
The InChIKey is BOPNZDXEKSMBNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrFNO/c1-6(5-13)7-3-4-8(12)9(11)10(7)14-2/h3-4,6H,5,13H2,1-2H3.
What are the key properties of 2-(3-bromo-4-fluoro-2-methoxyphenyl)propan-1-amine?
2-(3-bromo-4-fluoro-2-methoxyphenyl)propan-1-amine has a molecular weight of 262.12 g/mol, XLogP of 2.66, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-4-fluoro-2-methoxyphenyl)propan-1-amine is sourced from PubChem (CID 83902053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).