[1-(3-bromo-4-fluoro-2-methoxyphenyl)cyclopropyl]methanamine

C11H13BrFNO — CID 117437550

IUPAC[1-(3-bromo-4-fluoro-2-methoxyphenyl)cyclopropyl]methanamine
SMILESCOc1c(C2(CN)CC2)ccc(F)c1Br
InChIInChI=1S/C11H13BrFNO/c1-15-10-7(11(6-14)4-5-11)2-3-8(13)9(10)12/h2-3H,4-6,14H2,1H3
InChIKeyIEUAJTXEXCSQTC-UHFFFAOYSA-N
MW274.13 g/mol
LogP2.59
Rot. Bonds3

About [1-(3-bromo-4-fluoro-2-methoxyphenyl)cyclopropyl]methanamine

[1-(3-bromo-4-fluoro-2-methoxyphenyl)cyclopropyl]methanamine (PubChem CID 117437550) 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)cyclopropyl]methanamine.

Molecular Properties

Compound Name[1-(3-bromo-4-fluoro-2-methoxyphenyl)cyclopropyl]methanamine
PubChem CID117437550
Molecular FormulaC11H13BrFNO
Molecular Weight274.13 g/mol
Exact Mass273.02
IUPAC Name[1-(3-bromo-4-fluoro-2-methoxyphenyl)cyclopropyl]methanamine
SMILESCOc1c(C2(CN)CC2)ccc(F)c1Br
InChIInChI=1S/C11H13BrFNO/c1-15-10-7(11(6-14)4-5-11)2-3-8(13)9(10)12/h2-3H,4-6,14H2,1H3
InChIKeyIEUAJTXEXCSQTC-UHFFFAOYSA-N
XLogP2.59
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 ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[1-(3-bromo-2,4-dimethoxyphenyl)cyclopentyl]methanamine
CID 117499488
[1-(3,4,5-trifluoro-2-methoxyphenyl)cyclopropyl]methanamine
CID 84794179
[1-(2-methoxy-3,4-dimethylphenyl)cyclopropyl]methanamine
CID 117293943
[1-(4-bromo-6-fluoro-2,3-dimethoxyphenyl)cyclopropyl]methanamine
CID 117489270
1-[(3-bromo-4-fluoro-2-methoxyphenyl)methyl]cyclopropan-1-amine
CID 117437511
[1-(2-bromo-3,4-difluorophenyl)cyclopentyl]methanamine
CID 117468475
6-[1-(aminomethyl)cyclopropyl]-2,4-difluoro-3-methoxyphenol
CID 84792634
[1-(2,3,4-trifluorophenyl)cyclopropyl]methanamine
CID 75366182
3-[1-(aminomethyl)cyclobutyl]-6-bromo-2-methoxyphenol
CID 117461184
[1-(4-bromo-2-fluorophenyl)cyclopropyl]methanamine;hydrochloride
CID 75537413
[1-(2,3-dimethoxyphenyl)cyclopropyl]methanamine
CID 82611087
3-[1-(aminomethyl)cyclopropyl]-6-chloro-2-methoxyphenol
CID 117327619

Frequently Asked Questions

What is the IUPAC name of [1-(3-bromo-4-fluoro-2-methoxyphenyl)cyclopropyl]methanamine?
The IUPAC name of [1-(3-bromo-4-fluoro-2-methoxyphenyl)cyclopropyl]methanamine (CID 117437550) is [1-(3-bromo-4-fluoro-2-methoxyphenyl)cyclopropyl]methanamine.
What is the SMILES notation for [1-(3-bromo-4-fluoro-2-methoxyphenyl)cyclopropyl]methanamine?
The canonical SMILES for [1-(3-bromo-4-fluoro-2-methoxyphenyl)cyclopropyl]methanamine is COc1c(C2(CN)CC2)ccc(F)c1Br.
What is the InChIKey of [1-(3-bromo-4-fluoro-2-methoxyphenyl)cyclopropyl]methanamine?
The InChIKey is IEUAJTXEXCSQTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrFNO/c1-15-10-7(11(6-14)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)cyclopropyl]methanamine?
[1-(3-bromo-4-fluoro-2-methoxyphenyl)cyclopropyl]methanamine has a molecular weight of 274.13 g/mol, XLogP of 2.59, 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)cyclopropyl]methanamine is sourced from PubChem (CID 117437550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).