3-(2-bromo-5-fluorophenyl)-1-cyclopropyl-1-methoxypropan-2-amine

C13H17BrFNO — CID 116721854

IUPAC3-(2-bromo-5-fluorophenyl)-1-cyclopropyl-1-methoxypropan-2-amine
SMILESCOC(C(N)Cc1cc(F)ccc1Br)C1CC1
InChIInChI=1S/C13H17BrFNO/c1-17-13(8-2-3-8)12(16)7-9-6-10(15)4-5-11(9)14/h4-6,8,12-13H,2-3,7,16H2,1H3
InChIKeyMWQGVAUFWOTBBM-UHFFFAOYSA-N
MW302.19 g/mol
LogP2.88
Rot. Bonds5

About 3-(2-bromo-5-fluorophenyl)-1-cyclopropyl-1-methoxypropan-2-amine

3-(2-bromo-5-fluorophenyl)-1-cyclopropyl-1-methoxypropan-2-amine (PubChem CID 116721854) has the molecular formula C13H17BrFNO and a molecular weight of 302.19 g/mol. Its IUPAC name is 3-(2-bromo-5-fluorophenyl)-1-cyclopropyl-1-methoxypropan-2-amine.

Molecular Properties

Compound Name3-(2-bromo-5-fluorophenyl)-1-cyclopropyl-1-methoxypropan-2-amine
PubChem CID116721854
Molecular FormulaC13H17BrFNO
Molecular Weight302.19 g/mol
Exact Mass301.05
IUPAC Name3-(2-bromo-5-fluorophenyl)-1-cyclopropyl-1-methoxypropan-2-amine
SMILESCOC(C(N)Cc1cc(F)ccc1Br)C1CC1
InChIInChI=1S/C13H17BrFNO/c1-17-13(8-2-3-8)12(16)7-9-6-10(15)4-5-11(9)14/h4-6,8,12-13H,2-3,7,16H2,1H3
InChIKeyMWQGVAUFWOTBBM-UHFFFAOYSA-N
XLogP2.88
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.19
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2-bromo-5-fluorophenyl)-1-cyclopropyl-1-methoxypropan-2-ol
CID 116712649
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1-(2-bromo-5-fluorophenyl)-3-methoxypentan-2-amine
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1-cyclohexyl-3-(2-fluoro-3-methoxyphenyl)-1-methoxypropan-2-amine
CID 116771238
(2S)-1-(2-bromo-5-fluorophenyl)propan-2-amine
CID 71270516
1-(2-bromo-5-methoxyphenyl)-3-cyclopropylbutan-2-amine
CID 115862327
2-(2-bromo-5-fluorophenyl)-1-cycloheptyl-N-methylethanamine
CID 65398871
4-(2-bromo-5-fluorophenyl)-1-cyclopropylbutan-1-amine
CID 64505589
2-(2-bromo-5-fluorophenyl)-1-(oxolan-3-yl)ethanamine
CID 65330516
2-(2-bromo-5-fluorophenyl)-1-(1-methoxycyclohexyl)ethanamine
CID 116762549
1-(2-bromo-5-fluorophenyl)pentan-2-amine
CID 62601078
2-(2-bromo-5-fluorophenyl)-1-(2,4,6-trifluorophenyl)ethanamine
CID 115843812

Frequently Asked Questions

What is the IUPAC name of 3-(2-bromo-5-fluorophenyl)-1-cyclopropyl-1-methoxypropan-2-amine?
The IUPAC name of 3-(2-bromo-5-fluorophenyl)-1-cyclopropyl-1-methoxypropan-2-amine (CID 116721854) is 3-(2-bromo-5-fluorophenyl)-1-cyclopropyl-1-methoxypropan-2-amine.
What is the SMILES notation for 3-(2-bromo-5-fluorophenyl)-1-cyclopropyl-1-methoxypropan-2-amine?
The canonical SMILES for 3-(2-bromo-5-fluorophenyl)-1-cyclopropyl-1-methoxypropan-2-amine is COC(C(N)Cc1cc(F)ccc1Br)C1CC1.
What is the InChIKey of 3-(2-bromo-5-fluorophenyl)-1-cyclopropyl-1-methoxypropan-2-amine?
The InChIKey is MWQGVAUFWOTBBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrFNO/c1-17-13(8-2-3-8)12(16)7-9-6-10(15)4-5-11(9)14/h4-6,8,12-13H,2-3,7,16H2,1H3.
What are the key properties of 3-(2-bromo-5-fluorophenyl)-1-cyclopropyl-1-methoxypropan-2-amine?
3-(2-bromo-5-fluorophenyl)-1-cyclopropyl-1-methoxypropan-2-amine has a molecular weight of 302.19 g/mol, XLogP of 2.88, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-bromo-5-fluorophenyl)-1-cyclopropyl-1-methoxypropan-2-amine is sourced from PubChem (CID 116721854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).