1-(4-bromo-2-fluorophenyl)-3-methoxy-N-methylpentan-2-amine

C13H19BrFNO — CID 116715352

IUPAC1-(4-bromo-2-fluorophenyl)-3-methoxy-N-methylpentan-2-amine
SMILESCCC(OC)C(Cc1ccc(Br)cc1F)NC
InChIInChI=1S/C13H19BrFNO/c1-4-13(17-3)12(16-2)7-9-5-6-10(14)8-11(9)15/h5-6,8,12-13,16H,4,7H2,1-3H3
InChIKeyUVXIQNJDWZEYLE-UHFFFAOYSA-N
MW304.20 g/mol
LogP3.14
Rot. Bonds6

About 1-(4-bromo-2-fluorophenyl)-3-methoxy-N-methylpentan-2-amine

1-(4-bromo-2-fluorophenyl)-3-methoxy-N-methylpentan-2-amine (PubChem CID 116715352) has the molecular formula C13H19BrFNO and a molecular weight of 304.20 g/mol. Its IUPAC name is 1-(4-bromo-2-fluorophenyl)-3-methoxy-N-methylpentan-2-amine.

Molecular Properties

Compound Name1-(4-bromo-2-fluorophenyl)-3-methoxy-N-methylpentan-2-amine
PubChem CID116715352
Molecular FormulaC13H19BrFNO
Molecular Weight304.20 g/mol
Exact Mass303.06
IUPAC Name1-(4-bromo-2-fluorophenyl)-3-methoxy-N-methylpentan-2-amine
SMILESCCC(OC)C(Cc1ccc(Br)cc1F)NC
InChIInChI=1S/C13H19BrFNO/c1-4-13(17-3)12(16-2)7-9-5-6-10(14)8-11(9)15/h5-6,8,12-13,16H,4,7H2,1-3H3
InChIKeyUVXIQNJDWZEYLE-UHFFFAOYSA-N
XLogP3.14
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.20
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-bromo-2-fluorophenyl)-3-methoxypentan-2-ol
CID 116710912
1-(4-bromo-2-fluorophenyl)-N-methyl-3-methylsulfanylpropan-2-amine
CID 62694239
(2S)-1-(4-bromo-2-fluorophenyl)butan-2-ol
CID 94505320
3-(4-bromo-2-fluorophenyl)-1-N,1-N,2-N-trimethylpropane-1,2-diamine
CID 79093587
1-(4-bromo-2-fluorophenyl)-N-methyldecan-2-amine
CID 115844394
1-(4-bromo-2-fluorophenyl)-N-methylnonan-2-amine
CID 115844762
3-(4-bromo-2-fluorophenyl)-1,1-diethoxy-N-ethylpropan-2-amine
CID 79495115
1-(4-bromo-2-chlorophenyl)-3-methoxy-N-propylpentan-2-amine
CID 116716006
1,2-bis(4-bromo-2-fluorophenyl)-N-methylethanamine
CID 114906489
1-(4-bromo-2-fluorophenyl)-N,3,3-trimethylbutan-2-amine
CID 62600037
[1-(5-bromo-2-methoxyphenyl)-3-methoxypentan-2-yl]hydrazine
CID 105270725
[1-(2-bromo-4-fluorophenyl)-3-methoxypentan-2-yl]hydrazine
CID 105270647

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-2-fluorophenyl)-3-methoxy-N-methylpentan-2-amine?
The IUPAC name of 1-(4-bromo-2-fluorophenyl)-3-methoxy-N-methylpentan-2-amine (CID 116715352) is 1-(4-bromo-2-fluorophenyl)-3-methoxy-N-methylpentan-2-amine.
What is the SMILES notation for 1-(4-bromo-2-fluorophenyl)-3-methoxy-N-methylpentan-2-amine?
The canonical SMILES for 1-(4-bromo-2-fluorophenyl)-3-methoxy-N-methylpentan-2-amine is CCC(OC)C(Cc1ccc(Br)cc1F)NC.
What is the InChIKey of 1-(4-bromo-2-fluorophenyl)-3-methoxy-N-methylpentan-2-amine?
The InChIKey is UVXIQNJDWZEYLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrFNO/c1-4-13(17-3)12(16-2)7-9-5-6-10(14)8-11(9)15/h5-6,8,12-13,16H,4,7H2,1-3H3.
What are the key properties of 1-(4-bromo-2-fluorophenyl)-3-methoxy-N-methylpentan-2-amine?
1-(4-bromo-2-fluorophenyl)-3-methoxy-N-methylpentan-2-amine has a molecular weight of 304.20 g/mol, XLogP of 3.14, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-2-fluorophenyl)-3-methoxy-N-methylpentan-2-amine is sourced from PubChem (CID 116715352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).