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

C13H19BrFN — CID 62528281

IUPAC3-(3-bromo-4-fluorophenyl)-2-methyl-N-propan-2-ylpropan-1-amine
SMILESCC(CNC(C)C)Cc1ccc(F)c(Br)c1
InChIInChI=1S/C13H19BrFN/c1-9(2)16-8-10(3)6-11-4-5-13(15)12(14)7-11/h4-5,7,9-10,16H,6,8H2,1-3H3
InChIKeyRVHSFGUFRDOJSL-UHFFFAOYSA-N
MW288.20 g/mol
LogP3.76
Rot. Bonds5

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

3-(3-bromo-4-fluorophenyl)-2-methyl-N-propan-2-ylpropan-1-amine (PubChem CID 62528281) has the molecular formula C13H19BrFN and a molecular weight of 288.20 g/mol. Its IUPAC name is 3-(3-bromo-4-fluorophenyl)-2-methyl-N-propan-2-ylpropan-1-amine.

Molecular Properties

Compound Name3-(3-bromo-4-fluorophenyl)-2-methyl-N-propan-2-ylpropan-1-amine
PubChem CID62528281
Molecular FormulaC13H19BrFN
Molecular Weight288.20 g/mol
Exact Mass287.07
IUPAC Name3-(3-bromo-4-fluorophenyl)-2-methyl-N-propan-2-ylpropan-1-amine
SMILESCC(CNC(C)C)Cc1ccc(F)c(Br)c1
InChIInChI=1S/C13H19BrFN/c1-9(2)16-8-10(3)6-11-4-5-13(15)12(14)7-11/h4-5,7,9-10,16H,6,8H2,1-3H3
InChIKeyRVHSFGUFRDOJSL-UHFFFAOYSA-N
XLogP3.76
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.20
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-(3-bromo-4-methoxyphenyl)-2-methyl-N-propan-2-ylpropan-1-amine
CID 62530687
3-(3,5-difluorophenyl)-2-methyl-N-propan-2-ylpropan-1-amine
CID 64666039
3-[(3-bromo-4-fluorophenyl)methyl]-N-ethyl-4-methylpentan-2-amine
CID 63401426
2-methyl-3-[3-(2-methylpropyl)phenyl]-N-propan-2-ylpropan-1-amine
CID 116545803
4-(3,4-difluorophenyl)-2-methyl-N-propan-2-ylbutan-1-amine
CID 82924989
1-(3-bromo-4-fluorophenyl)-3,4-dimethylpentan-2-amine
CID 115818971
2-[(3-bromo-4-fluorophenyl)methyl]-3-methyl-N-propylbutan-1-amine
CID 63523291
N-[(3-bromo-4-fluorophenyl)methyl]-1-(4-bromophenyl)propan-2-amine
CID 43695878
1-(3-bromo-4-fluorophenyl)-N,4,6,6-tetramethylheptan-2-amine
CID 115818913
1-(3-bromo-4-fluorophenyl)-3-(4-bromophenyl)-N-methylpropan-2-amine
CID 63412804
N-[(3-bromo-4-fluorophenyl)methyl]-4-methylpentan-2-amine
CID 43371868
1-bromo-N-[(3-bromo-4-fluorophenyl)methyl]-3-methylbutan-2-amine
CID 107859065

Frequently Asked Questions

What is the IUPAC name of 3-(3-bromo-4-fluorophenyl)-2-methyl-N-propan-2-ylpropan-1-amine?
The IUPAC name of 3-(3-bromo-4-fluorophenyl)-2-methyl-N-propan-2-ylpropan-1-amine (CID 62528281) is 3-(3-bromo-4-fluorophenyl)-2-methyl-N-propan-2-ylpropan-1-amine.
What is the SMILES notation for 3-(3-bromo-4-fluorophenyl)-2-methyl-N-propan-2-ylpropan-1-amine?
The canonical SMILES for 3-(3-bromo-4-fluorophenyl)-2-methyl-N-propan-2-ylpropan-1-amine is CC(CNC(C)C)Cc1ccc(F)c(Br)c1.
What is the InChIKey of 3-(3-bromo-4-fluorophenyl)-2-methyl-N-propan-2-ylpropan-1-amine?
The InChIKey is RVHSFGUFRDOJSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrFN/c1-9(2)16-8-10(3)6-11-4-5-13(15)12(14)7-11/h4-5,7,9-10,16H,6,8H2,1-3H3.
What are the key properties of 3-(3-bromo-4-fluorophenyl)-2-methyl-N-propan-2-ylpropan-1-amine?
3-(3-bromo-4-fluorophenyl)-2-methyl-N-propan-2-ylpropan-1-amine has a molecular weight of 288.20 g/mol, XLogP of 3.76, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-bromo-4-fluorophenyl)-2-methyl-N-propan-2-ylpropan-1-amine is sourced from PubChem (CID 62528281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).