1-(3-bromo-5-fluorophenyl)-4-methoxy-4-methylpentan-1-amine

C13H19BrFNO — CID 103031167

IUPAC1-(3-bromo-5-fluorophenyl)-4-methoxy-4-methylpentan-1-amine
SMILESCOC(C)(C)CCC(N)c1cc(F)cc(Br)c1
InChIInChI=1S/C13H19BrFNO/c1-13(2,17-3)5-4-12(16)9-6-10(14)8-11(15)7-9/h6-8,12H,4-5,16H2,1-3H3
InChIKeyFPRGLCCEVSNOIQ-UHFFFAOYSA-N
MW304.20 g/mol
LogP3.79
Rot. Bonds5

About 1-(3-bromo-5-fluorophenyl)-4-methoxy-4-methylpentan-1-amine

1-(3-bromo-5-fluorophenyl)-4-methoxy-4-methylpentan-1-amine (PubChem CID 103031167) has the molecular formula C13H19BrFNO and a molecular weight of 304.20 g/mol. Its IUPAC name is 1-(3-bromo-5-fluorophenyl)-4-methoxy-4-methylpentan-1-amine.

Molecular Properties

Compound Name1-(3-bromo-5-fluorophenyl)-4-methoxy-4-methylpentan-1-amine
PubChem CID103031167
Molecular FormulaC13H19BrFNO
Molecular Weight304.20 g/mol
Exact Mass303.06
IUPAC Name1-(3-bromo-5-fluorophenyl)-4-methoxy-4-methylpentan-1-amine
SMILESCOC(C)(C)CCC(N)c1cc(F)cc(Br)c1
InChIInChI=1S/C13H19BrFNO/c1-13(2,17-3)5-4-12(16)9-6-10(14)8-11(15)7-9/h6-8,12H,4-5,16H2,1-3H3
InChIKeyFPRGLCCEVSNOIQ-UHFFFAOYSA-N
XLogP3.79
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.20
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-bromo-5-fluorophenyl)-4,4,4-trifluorobutan-1-amine
CID 66423671
1-(3-fluorophenyl)-4-methoxy-4-methylpentan-1-amine
CID 103031125
(1S)-1-(3-bromo-5-fluorophenyl)-4-methylpentan-1-amine;hydrochloride
CID 171223533
1-(3-bromo-5-fluorophenyl)octan-1-amine
CID 66423474
(1S)-1-(3-bromo-5-fluorophenyl)butane-1,4-diamine;hydrochloride
CID 171223503
(1R)-1-(3-bromo-5-fluorophenyl)-2,2-dimethylpropan-1-amine
CID 130039777
(2R)-2-amino-2-(3-bromo-5-fluorophenyl)ethanol
CID 66514747
(1S)-1-(3,5-difluorophenyl)-4,4,4-trifluorobutan-1-amine
CID 171224083
1-(3,5-dibromophenyl)-4-methoxy-N,4-dimethylpentan-1-amine
CID 114023299
(1S)-1-(3-bromo-5-fluorophenyl)pent-4-en-1-amine;hydrochloride
CID 171223529
1-(3-bromo-5-fluorophenyl)-2-(4-methoxyphenyl)ethanamine
CID 61079421
1-(3-chloro-4,5-dimethoxyphenyl)-4-methoxy-4-methylpentan-1-amine
CID 103035615

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-5-fluorophenyl)-4-methoxy-4-methylpentan-1-amine?
The IUPAC name of 1-(3-bromo-5-fluorophenyl)-4-methoxy-4-methylpentan-1-amine (CID 103031167) is 1-(3-bromo-5-fluorophenyl)-4-methoxy-4-methylpentan-1-amine.
What is the SMILES notation for 1-(3-bromo-5-fluorophenyl)-4-methoxy-4-methylpentan-1-amine?
The canonical SMILES for 1-(3-bromo-5-fluorophenyl)-4-methoxy-4-methylpentan-1-amine is COC(C)(C)CCC(N)c1cc(F)cc(Br)c1.
What is the InChIKey of 1-(3-bromo-5-fluorophenyl)-4-methoxy-4-methylpentan-1-amine?
The InChIKey is FPRGLCCEVSNOIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrFNO/c1-13(2,17-3)5-4-12(16)9-6-10(14)8-11(15)7-9/h6-8,12H,4-5,16H2,1-3H3.
What are the key properties of 1-(3-bromo-5-fluorophenyl)-4-methoxy-4-methylpentan-1-amine?
1-(3-bromo-5-fluorophenyl)-4-methoxy-4-methylpentan-1-amine has a molecular weight of 304.20 g/mol, XLogP of 3.79, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-5-fluorophenyl)-4-methoxy-4-methylpentan-1-amine is sourced from PubChem (CID 103031167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).