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

C16H17BrFNO — CID 65327715

IUPAC1-(2-bromo-5-methoxyphenyl)-2-(4-fluorophenyl)propan-2-amine
SMILESCOc1ccc(Br)c(CC(C)(N)c2ccc(F)cc2)c1
InChIInChI=1S/C16H17BrFNO/c1-16(19,12-3-5-13(18)6-4-12)10-11-9-14(20-2)7-8-15(11)17/h3-9H,10,19H2,1-2H3
InChIKeyIYWVXLXJWYWYJF-UHFFFAOYSA-N
MW338.22 g/mol
LogP4.01
Rot. Bonds4

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

1-(2-bromo-5-methoxyphenyl)-2-(4-fluorophenyl)propan-2-amine (PubChem CID 65327715) has the molecular formula C16H17BrFNO and a molecular weight of 338.22 g/mol. Its IUPAC name is 1-(2-bromo-5-methoxyphenyl)-2-(4-fluorophenyl)propan-2-amine.

Molecular Properties

Compound Name1-(2-bromo-5-methoxyphenyl)-2-(4-fluorophenyl)propan-2-amine
PubChem CID65327715
Molecular FormulaC16H17BrFNO
Molecular Weight338.22 g/mol
Exact Mass337.05
IUPAC Name1-(2-bromo-5-methoxyphenyl)-2-(4-fluorophenyl)propan-2-amine
SMILESCOc1ccc(Br)c(CC(C)(N)c2ccc(F)cc2)c1
InChIInChI=1S/C16H17BrFNO/c1-16(19,12-3-5-13(18)6-4-12)10-11-9-14(20-2)7-8-15(11)17/h3-9H,10,19H2,1-2H3
InChIKeyIYWVXLXJWYWYJF-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-(2-bromo-5-methoxyphenyl)-2-(4-ethylphenyl)propan-2-amine
CID 65327325
1-(3-bromo-5-fluorophenyl)-2-(4-methoxyphenyl)propan-2-amine
CID 79702014
1-(2-bromo-4-fluorophenyl)-2-(4-bromophenyl)propan-2-amine
CID 63408189
3-(2-bromo-5-methoxyphenyl)-2,2-dimethylpropanenitrile
CID 65379304
1-(2-bromo-5-methoxyphenyl)-3-methoxy-2,3-dimethylbutan-2-ol
CID 114228340
2-[(2-bromo-5-methoxyphenyl)methyl]-2-methylbutanoic acid
CID 65322994
3-[(2-bromo-5-methoxyphenyl)methyl]pentan-3-ol
CID 65327602
1,2-bis(4-methoxyphenyl)propan-2-amine
CID 63273092
N-[(2-bromo-5-methoxyphenyl)methyl]-4-tert-butylaniline
CID 65324147
2-[(2-bromo-5-methoxyphenyl)methyl]-2-methylbutan-1-ol
CID 66057917
3-[(2-bromo-5-methoxyphenyl)methyl]heptan-3-amine
CID 65330931
2-[(2-bromo-5-methoxyphenyl)methoxy]-5-fluoroaniline
CID 65322510

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-5-methoxyphenyl)-2-(4-fluorophenyl)propan-2-amine?
The IUPAC name of 1-(2-bromo-5-methoxyphenyl)-2-(4-fluorophenyl)propan-2-amine (CID 65327715) is 1-(2-bromo-5-methoxyphenyl)-2-(4-fluorophenyl)propan-2-amine.
What is the SMILES notation for 1-(2-bromo-5-methoxyphenyl)-2-(4-fluorophenyl)propan-2-amine?
The canonical SMILES for 1-(2-bromo-5-methoxyphenyl)-2-(4-fluorophenyl)propan-2-amine is COc1ccc(Br)c(CC(C)(N)c2ccc(F)cc2)c1.
What is the InChIKey of 1-(2-bromo-5-methoxyphenyl)-2-(4-fluorophenyl)propan-2-amine?
The InChIKey is IYWVXLXJWYWYJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrFNO/c1-16(19,12-3-5-13(18)6-4-12)10-11-9-14(20-2)7-8-15(11)17/h3-9H,10,19H2,1-2H3.
What are the key properties of 1-(2-bromo-5-methoxyphenyl)-2-(4-fluorophenyl)propan-2-amine?
1-(2-bromo-5-methoxyphenyl)-2-(4-fluorophenyl)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-(2-bromo-5-methoxyphenyl)-2-(4-fluorophenyl)propan-2-amine is sourced from PubChem (CID 65327715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).