1-(3-bromo-4-fluorophenyl)-N-methyl-3-propan-2-yloxypropan-2-amine

C13H19BrFNO — CID 105111283

IUPAC1-(3-bromo-4-fluorophenyl)-N-methyl-3-propan-2-yloxypropan-2-amine
SMILESCNC(COC(C)C)Cc1ccc(F)c(Br)c1
InChIInChI=1S/C13H19BrFNO/c1-9(2)17-8-11(16-3)6-10-4-5-13(15)12(14)7-10/h4-5,7,9,11,16H,6,8H2,1-3H3
InChIKeyPNUFIFFNNFFWBS-UHFFFAOYSA-N
MW304.20 g/mol
LogP3.14
Rot. Bonds6

About 1-(3-bromo-4-fluorophenyl)-N-methyl-3-propan-2-yloxypropan-2-amine

1-(3-bromo-4-fluorophenyl)-N-methyl-3-propan-2-yloxypropan-2-amine (PubChem CID 105111283) has the molecular formula C13H19BrFNO and a molecular weight of 304.20 g/mol. Its IUPAC name is 1-(3-bromo-4-fluorophenyl)-N-methyl-3-propan-2-yloxypropan-2-amine.

Molecular Properties

Compound Name1-(3-bromo-4-fluorophenyl)-N-methyl-3-propan-2-yloxypropan-2-amine
PubChem CID105111283
Molecular FormulaC13H19BrFNO
Molecular Weight304.20 g/mol
Exact Mass303.06
IUPAC Name1-(3-bromo-4-fluorophenyl)-N-methyl-3-propan-2-yloxypropan-2-amine
SMILESCNC(COC(C)C)Cc1ccc(F)c(Br)c1
InChIInChI=1S/C13H19BrFNO/c1-9(2)17-8-11(16-3)6-10-4-5-13(15)12(14)7-10/h4-5,7,9,11,16H,6,8H2,1-3H3
InChIKeyPNUFIFFNNFFWBS-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-(3-bromo-4-fluorophenyl)-3-(4-bromophenyl)-N-methylpropan-2-amine
CID 63412804
1-(3-bromo-4-fluorophenyl)-N-methyl-3-(2,2,3,3-tetrafluoropropoxy)propan-2-amine
CID 103475480
1-(3-bromo-4-fluorophenyl)-N,4,6,6-tetramethylheptan-2-amine
CID 115818913
1-(3-bromo-4-fluorophenyl)-N-methyl-4-methylsulfanylbutan-2-amine
CID 105111701
1-(4-ethylphenyl)-N-methyl-3-propan-2-yloxypropan-2-amine
CID 105101340
1-(3-bromo-4-fluorophenyl)-N-methylnonan-2-amine
CID 115819004
N-methyl-1-propan-2-yloxy-3-[4-(trifluoromethyl)phenyl]propan-2-amine
CID 105013128
4-(3-bromo-4-fluorophenyl)-1-methoxy-N-methylbutan-2-amine
CID 62318731
1-(3-bromo-4-fluorophenyl)-3-(2-chlorophenyl)-N-methylpropan-2-amine
CID 63414842
1-(3,4-difluorophenyl)-3-propan-2-yloxy-N-propylpropan-2-amine
CID 105013377
[1-(3-bromo-4-fluorophenyl)-5-methoxy-4-methylpentan-2-yl]hydrazine
CID 105290502
2-(3-bromo-4-fluorophenyl)-1-(3-fluoro-4-methoxyphenyl)-N-methylethanamine
CID 115818343

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-4-fluorophenyl)-N-methyl-3-propan-2-yloxypropan-2-amine?
The IUPAC name of 1-(3-bromo-4-fluorophenyl)-N-methyl-3-propan-2-yloxypropan-2-amine (CID 105111283) is 1-(3-bromo-4-fluorophenyl)-N-methyl-3-propan-2-yloxypropan-2-amine.
What is the SMILES notation for 1-(3-bromo-4-fluorophenyl)-N-methyl-3-propan-2-yloxypropan-2-amine?
The canonical SMILES for 1-(3-bromo-4-fluorophenyl)-N-methyl-3-propan-2-yloxypropan-2-amine is CNC(COC(C)C)Cc1ccc(F)c(Br)c1.
What is the InChIKey of 1-(3-bromo-4-fluorophenyl)-N-methyl-3-propan-2-yloxypropan-2-amine?
The InChIKey is PNUFIFFNNFFWBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrFNO/c1-9(2)17-8-11(16-3)6-10-4-5-13(15)12(14)7-10/h4-5,7,9,11,16H,6,8H2,1-3H3.
What are the key properties of 1-(3-bromo-4-fluorophenyl)-N-methyl-3-propan-2-yloxypropan-2-amine?
1-(3-bromo-4-fluorophenyl)-N-methyl-3-propan-2-yloxypropan-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-(3-bromo-4-fluorophenyl)-N-methyl-3-propan-2-yloxypropan-2-amine is sourced from PubChem (CID 105111283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).