1-(5-bromo-2-fluorophenyl)-3-(4-methoxyphenyl)propan-1-amine

C16H17BrFNO — CID 114894603

IUPAC1-(5-bromo-2-fluorophenyl)-3-(4-methoxyphenyl)propan-1-amine
SMILESCOc1ccc(CCC(N)c2cc(Br)ccc2F)cc1
InChIInChI=1S/C16H17BrFNO/c1-20-13-6-2-11(3-7-13)4-9-16(19)14-10-12(17)5-8-15(14)18/h2-3,5-8,10,16H,4,9,19H2,1H3
InChIKeyJTGIDHSIQUZMJL-UHFFFAOYSA-N
MW338.22 g/mol
LogP4.23
Rot. Bonds5

About 1-(5-bromo-2-fluorophenyl)-3-(4-methoxyphenyl)propan-1-amine

1-(5-bromo-2-fluorophenyl)-3-(4-methoxyphenyl)propan-1-amine (PubChem CID 114894603) has the molecular formula C16H17BrFNO and a molecular weight of 338.22 g/mol. Its IUPAC name is 1-(5-bromo-2-fluorophenyl)-3-(4-methoxyphenyl)propan-1-amine.

Molecular Properties

Compound Name1-(5-bromo-2-fluorophenyl)-3-(4-methoxyphenyl)propan-1-amine
PubChem CID114894603
Molecular FormulaC16H17BrFNO
Molecular Weight338.22 g/mol
Exact Mass337.05
IUPAC Name1-(5-bromo-2-fluorophenyl)-3-(4-methoxyphenyl)propan-1-amine
SMILESCOc1ccc(CCC(N)c2cc(Br)ccc2F)cc1
InChIInChI=1S/C16H17BrFNO/c1-20-13-6-2-11(3-7-13)4-9-16(19)14-10-12(17)5-8-15(14)18/h2-3,5-8,10,16H,4,9,19H2,1H3
InChIKeyJTGIDHSIQUZMJL-UHFFFAOYSA-N
XLogP4.23
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.22
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(5-bromo-2-fluorophenyl)-3-(4-methoxyphenyl)propan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(5-chloro-2-fluorophenyl)-3-(4-methoxyphenyl)propan-1-amine
CID 114886007
1-(5-bromo-2-fluorophenyl)-3-phenylpropan-1-amine
CID 79742290
(1S)-1-(2-fluoro-5-methoxyphenyl)propane-1,3-diamine
CID 171229223
1-(5-bromo-2-fluorophenyl)-4-phenylbutan-1-amine
CID 114894528
1-(5-bromo-2-fluorophenyl)-N'-methylbutane-1,4-diamine
CID 116933922
5-bromo-2-fluoro-N-[4-(4-methoxyphenyl)butan-2-yl]aniline
CID 43777522
1-(3-bromo-4-fluorophenyl)-4-(4-methoxyphenyl)butan-2-amine
CID 115818682
1-(2-bromofuran-3-yl)-3-(4-methoxyphenyl)propan-1-amine
CID 106857738
1-(3-bromo-2-methylphenyl)-3-(4-methoxyphenyl)propan-1-amine
CID 115864744
1-(5-bromo-2-fluorophenyl)octan-1-amine
CID 114894454
(3S)-3-amino-3-(5-bromo-2-fluorophenyl)propan-1-ol;hydrochloride
CID 171220171
(1S)-1-(2-fluoro-5-methoxyphenyl)hexan-1-amine
CID 171229236

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2-fluorophenyl)-3-(4-methoxyphenyl)propan-1-amine?
The IUPAC name of 1-(5-bromo-2-fluorophenyl)-3-(4-methoxyphenyl)propan-1-amine (CID 114894603) is 1-(5-bromo-2-fluorophenyl)-3-(4-methoxyphenyl)propan-1-amine.
What is the SMILES notation for 1-(5-bromo-2-fluorophenyl)-3-(4-methoxyphenyl)propan-1-amine?
The canonical SMILES for 1-(5-bromo-2-fluorophenyl)-3-(4-methoxyphenyl)propan-1-amine is COc1ccc(CCC(N)c2cc(Br)ccc2F)cc1.
What is the InChIKey of 1-(5-bromo-2-fluorophenyl)-3-(4-methoxyphenyl)propan-1-amine?
The InChIKey is JTGIDHSIQUZMJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrFNO/c1-20-13-6-2-11(3-7-13)4-9-16(19)14-10-12(17)5-8-15(14)18/h2-3,5-8,10,16H,4,9,19H2,1H3.
What are the key properties of 1-(5-bromo-2-fluorophenyl)-3-(4-methoxyphenyl)propan-1-amine?
1-(5-bromo-2-fluorophenyl)-3-(4-methoxyphenyl)propan-1-amine has a molecular weight of 338.22 g/mol, XLogP of 4.23, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-2-fluorophenyl)-3-(4-methoxyphenyl)propan-1-amine is sourced from PubChem (CID 114894603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).