1-(4-bromo-2-fluorophenyl)-2-methyl-N-propylpropan-1-amine

C13H19BrFN — CID 114906702

IUPAC1-(4-bromo-2-fluorophenyl)-2-methyl-N-propylpropan-1-amine
SMILESCCCNC(c1ccc(Br)cc1F)C(C)C
InChIInChI=1S/C13H19BrFN/c1-4-7-16-13(9(2)3)11-6-5-10(14)8-12(11)15/h5-6,8-9,13,16H,4,7H2,1-3H3
InChIKeyJQBZFBZBZPDGDX-UHFFFAOYSA-N
MW288.20 g/mol
LogP4.28
Rot. Bonds5

About 1-(4-bromo-2-fluorophenyl)-2-methyl-N-propylpropan-1-amine

1-(4-bromo-2-fluorophenyl)-2-methyl-N-propylpropan-1-amine (PubChem CID 114906702) has the molecular formula C13H19BrFN and a molecular weight of 288.20 g/mol. Its IUPAC name is 1-(4-bromo-2-fluorophenyl)-2-methyl-N-propylpropan-1-amine.

Molecular Properties

Compound Name1-(4-bromo-2-fluorophenyl)-2-methyl-N-propylpropan-1-amine
PubChem CID114906702
Molecular FormulaC13H19BrFN
Molecular Weight288.20 g/mol
Exact Mass287.07
IUPAC Name1-(4-bromo-2-fluorophenyl)-2-methyl-N-propylpropan-1-amine
SMILESCCCNC(c1ccc(Br)cc1F)C(C)C
InChIInChI=1S/C13H19BrFN/c1-4-7-16-13(9(2)3)11-6-5-10(14)8-12(11)15/h5-6,8-9,13,16H,4,7H2,1-3H3
InChIKeyJQBZFBZBZPDGDX-UHFFFAOYSA-N
XLogP4.28
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 ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4-bromo-5-chloro-2-fluorophenyl)-2-methyl-N-propylpropan-1-amine
CID 105399130
N-[1-(4-bromo-2-fluorophenyl)ethyl]decan-1-amine
CID 82963081
2-(4-bromo-2-fluorophenyl)-2-(propylamino)acetonitrile
CID 43364620
N-[(4-bromo-2-fluorophenyl)-(4-bromothiophen-3-yl)methyl]propan-1-amine
CID 114906757
1-(4-bromo-2-fluorophenyl)-N-propylpropan-2-amine
CID 62601740
2-(4-bromo-2-fluorophenyl)-N-ethyl-4-methylpentan-3-amine
CID 82972669
N-[(5-bromo-2-fluorophenyl)-(4-bromo-2-methylphenyl)methyl]propan-1-amine
CID 105011819
N-[(4-bromo-2-fluorophenyl)-cyclohexylmethyl]propan-1-amine
CID 114906699
N-[(4-bromo-2-fluorophenyl)-(5-bromothiophen-2-yl)methyl]propan-1-amine
CID 63503772
1-(4-bromo-2-fluorophenyl)-4-methyl-N-propylpent-4-en-1-amine
CID 114906796
N-[1-(4-chloro-2-fluorophenyl)-2,2-difluoroethyl]propan-1-amine
CID 103759856
N-[1-(4-bromo-2-fluorophenyl)ethyl]-3-methylbutan-1-amine
CID 82961496

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-2-fluorophenyl)-2-methyl-N-propylpropan-1-amine?
The IUPAC name of 1-(4-bromo-2-fluorophenyl)-2-methyl-N-propylpropan-1-amine (CID 114906702) is 1-(4-bromo-2-fluorophenyl)-2-methyl-N-propylpropan-1-amine.
What is the SMILES notation for 1-(4-bromo-2-fluorophenyl)-2-methyl-N-propylpropan-1-amine?
The canonical SMILES for 1-(4-bromo-2-fluorophenyl)-2-methyl-N-propylpropan-1-amine is CCCNC(c1ccc(Br)cc1F)C(C)C.
What is the InChIKey of 1-(4-bromo-2-fluorophenyl)-2-methyl-N-propylpropan-1-amine?
The InChIKey is JQBZFBZBZPDGDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrFN/c1-4-7-16-13(9(2)3)11-6-5-10(14)8-12(11)15/h5-6,8-9,13,16H,4,7H2,1-3H3.
What are the key properties of 1-(4-bromo-2-fluorophenyl)-2-methyl-N-propylpropan-1-amine?
1-(4-bromo-2-fluorophenyl)-2-methyl-N-propylpropan-1-amine has a molecular weight of 288.20 g/mol, XLogP of 4.28, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-2-fluorophenyl)-2-methyl-N-propylpropan-1-amine is sourced from PubChem (CID 114906702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).