(5-bromo-4-fluoro-2-methoxyphenyl)-(2,2-dimethylcyclopropyl)methanamine

C13H17BrFNO — CID 107001449

IUPAC(5-bromo-4-fluoro-2-methoxyphenyl)-(2,2-dimethylcyclopropyl)methanamine
SMILESCOc1cc(F)c(Br)cc1C(N)C1CC1(C)C
InChIInChI=1S/C13H17BrFNO/c1-13(2)6-8(13)12(16)7-4-9(14)10(15)5-11(7)17-3/h4-5,8,12H,6,16H2,1-3H3
InChIKeyZFBSDHZZLCUWGV-UHFFFAOYSA-N
MW302.19 g/mol
LogP3.64
Rot. Bonds3

About (5-bromo-4-fluoro-2-methoxyphenyl)-(2,2-dimethylcyclopropyl)methanamine

(5-bromo-4-fluoro-2-methoxyphenyl)-(2,2-dimethylcyclopropyl)methanamine (PubChem CID 107001449) has the molecular formula C13H17BrFNO and a molecular weight of 302.19 g/mol. Its IUPAC name is (5-bromo-4-fluoro-2-methoxyphenyl)-(2,2-dimethylcyclopropyl)methanamine.

Molecular Properties

Compound Name(5-bromo-4-fluoro-2-methoxyphenyl)-(2,2-dimethylcyclopropyl)methanamine
PubChem CID107001449
Molecular FormulaC13H17BrFNO
Molecular Weight302.19 g/mol
Exact Mass301.05
IUPAC Name(5-bromo-4-fluoro-2-methoxyphenyl)-(2,2-dimethylcyclopropyl)methanamine
SMILESCOc1cc(F)c(Br)cc1C(N)C1CC1(C)C
InChIInChI=1S/C13H17BrFNO/c1-13(2)6-8(13)12(16)7-4-9(14)10(15)5-11(7)17-3/h4-5,8,12H,6,16H2,1-3H3
InChIKeyZFBSDHZZLCUWGV-UHFFFAOYSA-N
XLogP3.64
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.19
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(5-bromo-4-fluoro-2-methoxyphenyl)-(2,2-dimethylcyclopentyl)methanamine
CID 107178296
(5-bromo-4-fluoro-2-methoxyphenyl)-(2-methylcyclopentyl)methanamine
CID 107178298
1-(5-bromo-4-fluoro-2-methoxyphenyl)-2,2,2-trifluoroethanamine
CID 103394303
(5-chloro-2-methoxyphenyl)-(2,2-dimethylcyclopropyl)methanamine
CID 107001396
(5-bromo-4-fluoro-2-methoxyphenyl)-(2,4,6-trifluorophenyl)methanamine
CID 103394465
(5-bromo-4-fluoro-2-methoxyphenyl)-(3,5-dichlorophenyl)methanamine
CID 103394434
1-(5-bromo-4-fluoro-2-methoxyphenyl)-2-cyclopropylethanamine
CID 103394387
(4-bromo-5-chloro-2-fluorophenyl)-(2,2-dimethylcyclopropyl)methanamine
CID 107001430
(5-bromo-4-fluoro-2-methoxyphenyl)-(4-fluorophenyl)methanamine
CID 103394484
1-bromo-5-[chloro(cyclopropyl)methyl]-2-fluoro-4-methoxybenzene
CID 103396342
1-bromo-5-[bromo-(2-methylcyclopropyl)methyl]-2-fluoro-4-methoxybenzene
CID 103396390
1-(5-bromo-4-fluoro-2-methoxyphenyl)pentan-1-amine
CID 103394326

Frequently Asked Questions

What is the IUPAC name of (5-bromo-4-fluoro-2-methoxyphenyl)-(2,2-dimethylcyclopropyl)methanamine?
The IUPAC name of (5-bromo-4-fluoro-2-methoxyphenyl)-(2,2-dimethylcyclopropyl)methanamine (CID 107001449) is (5-bromo-4-fluoro-2-methoxyphenyl)-(2,2-dimethylcyclopropyl)methanamine.
What is the SMILES notation for (5-bromo-4-fluoro-2-methoxyphenyl)-(2,2-dimethylcyclopropyl)methanamine?
The canonical SMILES for (5-bromo-4-fluoro-2-methoxyphenyl)-(2,2-dimethylcyclopropyl)methanamine is COc1cc(F)c(Br)cc1C(N)C1CC1(C)C.
What is the InChIKey of (5-bromo-4-fluoro-2-methoxyphenyl)-(2,2-dimethylcyclopropyl)methanamine?
The InChIKey is ZFBSDHZZLCUWGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrFNO/c1-13(2)6-8(13)12(16)7-4-9(14)10(15)5-11(7)17-3/h4-5,8,12H,6,16H2,1-3H3.
What are the key properties of (5-bromo-4-fluoro-2-methoxyphenyl)-(2,2-dimethylcyclopropyl)methanamine?
(5-bromo-4-fluoro-2-methoxyphenyl)-(2,2-dimethylcyclopropyl)methanamine has a molecular weight of 302.19 g/mol, XLogP of 3.64, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-4-fluoro-2-methoxyphenyl)-(2,2-dimethylcyclopropyl)methanamine is sourced from PubChem (CID 107001449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).