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

C16H17BrFNO — CID 79702014

IUPAC1-(3-bromo-5-fluorophenyl)-2-(4-methoxyphenyl)propan-2-amine
SMILESCOc1ccc(C(C)(N)Cc2cc(F)cc(Br)c2)cc1
InChIInChI=1S/C16H17BrFNO/c1-16(19,12-3-5-15(20-2)6-4-12)10-11-7-13(17)9-14(18)8-11/h3-9H,10,19H2,1-2H3
InChIKeyIKGZRUNWFOSSNY-UHFFFAOYSA-N
MW338.22 g/mol
LogP4.01
Rot. Bonds4

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

1-(3-bromo-5-fluorophenyl)-2-(4-methoxyphenyl)propan-2-amine (PubChem CID 79702014) has the molecular formula C16H17BrFNO and a molecular weight of 338.22 g/mol. Its IUPAC name is 1-(3-bromo-5-fluorophenyl)-2-(4-methoxyphenyl)propan-2-amine.

Molecular Properties

Compound Name1-(3-bromo-5-fluorophenyl)-2-(4-methoxyphenyl)propan-2-amine
PubChem CID79702014
Molecular FormulaC16H17BrFNO
Molecular Weight338.22 g/mol
Exact Mass337.05
IUPAC Name1-(3-bromo-5-fluorophenyl)-2-(4-methoxyphenyl)propan-2-amine
SMILESCOc1ccc(C(C)(N)Cc2cc(F)cc(Br)c2)cc1
InChIInChI=1S/C16H17BrFNO/c1-16(19,12-3-5-15(20-2)6-4-12)10-11-7-13(17)9-14(18)8-11/h3-9H,10,19H2,1-2H3
InChIKeyIKGZRUNWFOSSNY-UHFFFAOYSA-N
XLogP4.01
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.22
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-bromo-5-fluorophenyl)-2-(4-bromophenyl)propan-2-amine
CID 79701638
1,2-bis(4-methoxyphenyl)propan-2-amine
CID 63273092
1-(3-bromo-5-fluorophenyl)-2-(3-methylphenyl)propan-2-amine
CID 79702900
1-(2-bromo-5-methoxyphenyl)-2-(4-fluorophenyl)propan-2-amine
CID 65327715
2-(3-fluoro-4-methoxyphenyl)-1-(4-methoxyphenyl)propan-2-amine
CID 63273344
1-(3-bromo-5-fluorophenyl)-2-methylbutan-2-amine
CID 79702455
2-(4-ethoxyphenyl)-1-(4-methoxyphenyl)propan-2-amine
CID 63273223
1-(3,5-difluorophenyl)-2-(3,4-dimethylphenyl)propan-2-amine
CID 105403015
1-(3-bromo-5-fluorophenyl)-2,3-dimethylbutan-2-amine
CID 79702565
1-(3-bromophenyl)-2-(3-methoxyphenyl)propan-2-amine
CID 60797838
1-(3-bromo-5-fluorophenyl)-2-methylpentan-2-amine
CID 79711391
1-(3,5-difluorophenyl)-3-(4-methoxyphenyl)-2-methylpropan-2-ol
CID 105402488

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-5-fluorophenyl)-2-(4-methoxyphenyl)propan-2-amine?
The IUPAC name of 1-(3-bromo-5-fluorophenyl)-2-(4-methoxyphenyl)propan-2-amine (CID 79702014) is 1-(3-bromo-5-fluorophenyl)-2-(4-methoxyphenyl)propan-2-amine.
What is the SMILES notation for 1-(3-bromo-5-fluorophenyl)-2-(4-methoxyphenyl)propan-2-amine?
The canonical SMILES for 1-(3-bromo-5-fluorophenyl)-2-(4-methoxyphenyl)propan-2-amine is COc1ccc(C(C)(N)Cc2cc(F)cc(Br)c2)cc1.
What is the InChIKey of 1-(3-bromo-5-fluorophenyl)-2-(4-methoxyphenyl)propan-2-amine?
The InChIKey is IKGZRUNWFOSSNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrFNO/c1-16(19,12-3-5-15(20-2)6-4-12)10-11-7-13(17)9-14(18)8-11/h3-9H,10,19H2,1-2H3.
What are the key properties of 1-(3-bromo-5-fluorophenyl)-2-(4-methoxyphenyl)propan-2-amine?
1-(3-bromo-5-fluorophenyl)-2-(4-methoxyphenyl)propan-2-amine has a molecular weight of 338.22 g/mol, XLogP of 4.01, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-5-fluorophenyl)-2-(4-methoxyphenyl)propan-2-amine is sourced from PubChem (CID 79702014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).