1-[(3-bromo-4-fluoro-2-methoxyphenyl)methyl]cyclopropan-1-amine

C11H13BrFNO — CID 117437511

IUPAC1-[(3-bromo-4-fluoro-2-methoxyphenyl)methyl]cyclopropan-1-amine
SMILESCOc1c(CC2(N)CC2)ccc(F)c1Br
InChIInChI=1S/C11H13BrFNO/c1-15-10-7(6-11(14)4-5-11)2-3-8(13)9(10)12/h2-3H,4-6,14H2,1H3
InChIKeyIXDLZWRTAPCHIJ-UHFFFAOYSA-N
MW274.13 g/mol
LogP2.63
Rot. Bonds3

About 1-[(3-bromo-4-fluoro-2-methoxyphenyl)methyl]cyclopropan-1-amine

1-[(3-bromo-4-fluoro-2-methoxyphenyl)methyl]cyclopropan-1-amine (PubChem CID 117437511) has the molecular formula C11H13BrFNO and a molecular weight of 274.13 g/mol. Its IUPAC name is 1-[(3-bromo-4-fluoro-2-methoxyphenyl)methyl]cyclopropan-1-amine.

Molecular Properties

Compound Name1-[(3-bromo-4-fluoro-2-methoxyphenyl)methyl]cyclopropan-1-amine
PubChem CID117437511
Molecular FormulaC11H13BrFNO
Molecular Weight274.13 g/mol
Exact Mass273.02
IUPAC Name1-[(3-bromo-4-fluoro-2-methoxyphenyl)methyl]cyclopropan-1-amine
SMILESCOc1c(CC2(N)CC2)ccc(F)c1Br
InChIInChI=1S/C11H13BrFNO/c1-15-10-7(6-11(14)4-5-11)2-3-8(13)9(10)12/h2-3H,4-6,14H2,1H3
InChIKeyIXDLZWRTAPCHIJ-UHFFFAOYSA-N
XLogP2.63
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.13
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(5-Bromo-2-methoxyphenyl)ethanamine
CID 2735583
2-(3-Bromo-4-methoxyphenyl)ethan-1-amine
CID 2735581
5-Bromo-2-methoxyphenethylamine hydrobromide
CID 2757038
2-(5-Bromo-2-methoxyphenyl)ethan-1-amine hydrochloride
CID 54595622
1-Bromo-5-fluoro-2-methoxy-3-methylbenzene
CID 71102275
(3-Bromo-2-methoxyphenyl)methanamine
CID 57813384
2-(3-Bromo-2-methoxyphenyl)ethan-1-amine hydrochloride
CID 71757438
1-((5-Fluoro-2-methoxyphenyl)methyl)cyclopropan-1-amine hydrochloride
CID 137965893
1-(4-Bromo-3-methoxyphenyl)cyclopropan-1-amine hydrochloride
CID 146108131
1-(4-Bromo-2-methoxyphenyl)cyclopropan-1-amine hydrochloride
CID 165950455
1-Bromo-4-fluoro-2-methoxy-3-methylbenzene
CID 59778829
1-[(5-Fluoro-2-methoxyphenyl)methyl]cyclopropan-1-amine
CID 83685688

Frequently Asked Questions

What is the IUPAC name of 1-[(3-bromo-4-fluoro-2-methoxyphenyl)methyl]cyclopropan-1-amine?
The IUPAC name of 1-[(3-bromo-4-fluoro-2-methoxyphenyl)methyl]cyclopropan-1-amine (CID 117437511) is 1-[(3-bromo-4-fluoro-2-methoxyphenyl)methyl]cyclopropan-1-amine.
What is the SMILES notation for 1-[(3-bromo-4-fluoro-2-methoxyphenyl)methyl]cyclopropan-1-amine?
The canonical SMILES for 1-[(3-bromo-4-fluoro-2-methoxyphenyl)methyl]cyclopropan-1-amine is COc1c(CC2(N)CC2)ccc(F)c1Br.
What is the InChIKey of 1-[(3-bromo-4-fluoro-2-methoxyphenyl)methyl]cyclopropan-1-amine?
The InChIKey is IXDLZWRTAPCHIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrFNO/c1-15-10-7(6-11(14)4-5-11)2-3-8(13)9(10)12/h2-3H,4-6,14H2,1H3.
What are the key properties of 1-[(3-bromo-4-fluoro-2-methoxyphenyl)methyl]cyclopropan-1-amine?
1-[(3-bromo-4-fluoro-2-methoxyphenyl)methyl]cyclopropan-1-amine has a molecular weight of 274.13 g/mol, XLogP of 2.63, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-bromo-4-fluoro-2-methoxyphenyl)methyl]cyclopropan-1-amine is sourced from PubChem (CID 117437511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).