1-[(3-bromo-5-fluoro-4-methoxyphenyl)methyl]cyclopropan-1-amine

C11H13BrFNO — CID 117437506

IUPAC1-[(3-bromo-5-fluoro-4-methoxyphenyl)methyl]cyclopropan-1-amine
SMILESCOc1c(F)cc(CC2(N)CC2)cc1Br
InChIInChI=1S/C11H13BrFNO/c1-15-10-8(12)4-7(5-9(10)13)6-11(14)2-3-11/h4-5H,2-3,6,14H2,1H3
InChIKeyRCEZNRJWSZPECJ-UHFFFAOYSA-N
MW274.13 g/mol
LogP2.63
Rot. Bonds3

About 1-[(3-bromo-5-fluoro-4-methoxyphenyl)methyl]cyclopropan-1-amine

1-[(3-bromo-5-fluoro-4-methoxyphenyl)methyl]cyclopropan-1-amine (PubChem CID 117437506) has the molecular formula C11H13BrFNO and a molecular weight of 274.13 g/mol. Its IUPAC name is 1-[(3-bromo-5-fluoro-4-methoxyphenyl)methyl]cyclopropan-1-amine.

Molecular Properties

Compound Name1-[(3-bromo-5-fluoro-4-methoxyphenyl)methyl]cyclopropan-1-amine
PubChem CID117437506
Molecular FormulaC11H13BrFNO
Molecular Weight274.13 g/mol
Exact Mass273.02
IUPAC Name1-[(3-bromo-5-fluoro-4-methoxyphenyl)methyl]cyclopropan-1-amine
SMILESCOc1c(F)cc(CC2(N)CC2)cc1Br
InChIInChI=1S/C11H13BrFNO/c1-15-10-8(12)4-7(5-9(10)13)6-11(14)2-3-11/h4-5H,2-3,6,14H2,1H3
InChIKeyRCEZNRJWSZPECJ-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

1-[(3-bromo-4-methoxy-5-methylsulfanylphenyl)methyl]cyclopropan-1-amine
CID 117486894
1-[(5-bromo-3-fluoro-2,4-dimethoxyphenyl)methyl]cyclopropan-1-amine
CID 117489110
4-[(1-aminocyclopropyl)methyl]-2-fluoro-6-methoxyphenol
CID 117301384
3-(3-bromo-5-fluoro-4-methoxyphenyl)-2-methylpropan-1-amine
CID 83904412
3-(3-bromo-5-fluoro-4-methoxyphenyl)propanal
CID 117406402
1-[(5-bromo-2,4-dimethoxy-3-methylphenyl)methyl]cyclopropan-1-amine
CID 117483351
1-[(3-fluoro-5-methoxy-4-propan-2-ylphenyl)methyl]cyclopropan-1-amine
CID 117347282
1-[(6-bromo-2-fluoro-3,4-dimethoxyphenyl)methyl]cyclopropan-1-amine
CID 117489103
1-[(3,4,5-trifluoro-2-methoxyphenyl)methyl]cyclopropan-1-amine
CID 117333685
1-[(3-bromo-4-fluoro-2-methoxyphenyl)methyl]cyclopropan-1-amine
CID 117437511
1-[(3-bromo-4-methoxy-5-methylsulfanylphenyl)methyl]cyclopropan-1-ol
CID 117488242
1-[(4-chloro-3,5-difluorophenyl)methyl]cyclopropan-1-amine
CID 117310192

Frequently Asked Questions

What is the IUPAC name of 1-[(3-bromo-5-fluoro-4-methoxyphenyl)methyl]cyclopropan-1-amine?
The IUPAC name of 1-[(3-bromo-5-fluoro-4-methoxyphenyl)methyl]cyclopropan-1-amine (CID 117437506) is 1-[(3-bromo-5-fluoro-4-methoxyphenyl)methyl]cyclopropan-1-amine.
What is the SMILES notation for 1-[(3-bromo-5-fluoro-4-methoxyphenyl)methyl]cyclopropan-1-amine?
The canonical SMILES for 1-[(3-bromo-5-fluoro-4-methoxyphenyl)methyl]cyclopropan-1-amine is COc1c(F)cc(CC2(N)CC2)cc1Br.
What is the InChIKey of 1-[(3-bromo-5-fluoro-4-methoxyphenyl)methyl]cyclopropan-1-amine?
The InChIKey is RCEZNRJWSZPECJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrFNO/c1-15-10-8(12)4-7(5-9(10)13)6-11(14)2-3-11/h4-5H,2-3,6,14H2,1H3.
What are the key properties of 1-[(3-bromo-5-fluoro-4-methoxyphenyl)methyl]cyclopropan-1-amine?
1-[(3-bromo-5-fluoro-4-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-5-fluoro-4-methoxyphenyl)methyl]cyclopropan-1-amine is sourced from PubChem (CID 117437506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).