N-[(4-bromo-3-fluorophenyl)methyl]-1-(2-methoxyphenyl)propan-2-amine

C17H19BrFNO — CID 81432305

IUPACN-[(4-bromo-3-fluorophenyl)methyl]-1-(2-methoxyphenyl)propan-2-amine
SMILESCOc1ccccc1CC(C)NCc1ccc(Br)c(F)c1
InChIInChI=1S/C17H19BrFNO/c1-12(9-14-5-3-4-6-17(14)21-2)20-11-13-7-8-15(18)16(19)10-13/h3-8,10,12,20H,9,11H2,1-2H3
InChIKeyTXDGARMEUNIJDY-UHFFFAOYSA-N
MW352.25 g/mol
LogP4.32
Rot. Bonds6

About N-[(4-bromo-3-fluorophenyl)methyl]-1-(2-methoxyphenyl)propan-2-amine

N-[(4-bromo-3-fluorophenyl)methyl]-1-(2-methoxyphenyl)propan-2-amine (PubChem CID 81432305) has the molecular formula C17H19BrFNO and a molecular weight of 352.25 g/mol. Its IUPAC name is N-[(4-bromo-3-fluorophenyl)methyl]-1-(2-methoxyphenyl)propan-2-amine.

Molecular Properties

Compound NameN-[(4-bromo-3-fluorophenyl)methyl]-1-(2-methoxyphenyl)propan-2-amine
PubChem CID81432305
Molecular FormulaC17H19BrFNO
Molecular Weight352.25 g/mol
Exact Mass351.06
IUPAC NameN-[(4-bromo-3-fluorophenyl)methyl]-1-(2-methoxyphenyl)propan-2-amine
SMILESCOc1ccccc1CC(C)NCc1ccc(Br)c(F)c1
InChIInChI=1S/C17H19BrFNO/c1-12(9-14-5-3-4-6-17(14)21-2)20-11-13-7-8-15(18)16(19)10-13/h3-8,10,12,20H,9,11H2,1-2H3
InChIKeyTXDGARMEUNIJDY-UHFFFAOYSA-N
XLogP4.32
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.25
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(5-bromo-2-fluorophenyl)methyl]-1-(2-methoxyphenyl)propan-2-amine
CID 60936188
N-[(4-bromo-3-fluorophenyl)methyl]-1-(4-fluorophenyl)propan-2-amine
CID 81436061
N-[(4-bromo-3-fluorophenyl)methyl]-1-(2,6-difluorophenyl)propan-2-amine
CID 81432181
N-[[3-(methoxymethyl)phenyl]methyl]-1-(2-methoxyphenyl)propan-2-amine
CID 119165099
N-[(3,5-dichlorophenyl)methyl]-1-(2-methoxyphenyl)propan-2-amine
CID 63452912
2-bromo-6-[[1-(2-methoxyphenyl)propan-2-ylamino]methyl]phenol
CID 61391582
N-[(4-bromo-3-fluorophenyl)methyl]-1-(5-fluoro-2-methoxyphenyl)ethanamine
CID 80997736
2-bromo-4,6-difluoro-N-[1-(2-methoxyphenyl)propan-2-yl]aniline
CID 43775031
N-[(4-bromo-3-fluorophenyl)methyl]-4-methylpentan-2-amine
CID 81436383
N-[(4-bromo-3-fluorophenyl)methyl]-1-(3-bromo-4-methoxyphenyl)ethanamine
CID 81431633
N-[(4-bromo-3-fluorophenyl)methyl]-4,4,4-trifluorobutan-2-amine
CID 103779657
3-[(4-bromo-3-fluorophenyl)methylamino]butan-1-ol
CID 81002994

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromo-3-fluorophenyl)methyl]-1-(2-methoxyphenyl)propan-2-amine?
The IUPAC name of N-[(4-bromo-3-fluorophenyl)methyl]-1-(2-methoxyphenyl)propan-2-amine (CID 81432305) is N-[(4-bromo-3-fluorophenyl)methyl]-1-(2-methoxyphenyl)propan-2-amine.
What is the SMILES notation for N-[(4-bromo-3-fluorophenyl)methyl]-1-(2-methoxyphenyl)propan-2-amine?
The canonical SMILES for N-[(4-bromo-3-fluorophenyl)methyl]-1-(2-methoxyphenyl)propan-2-amine is COc1ccccc1CC(C)NCc1ccc(Br)c(F)c1.
What is the InChIKey of N-[(4-bromo-3-fluorophenyl)methyl]-1-(2-methoxyphenyl)propan-2-amine?
The InChIKey is TXDGARMEUNIJDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19BrFNO/c1-12(9-14-5-3-4-6-17(14)21-2)20-11-13-7-8-15(18)16(19)10-13/h3-8,10,12,20H,9,11H2,1-2H3.
What are the key properties of N-[(4-bromo-3-fluorophenyl)methyl]-1-(2-methoxyphenyl)propan-2-amine?
N-[(4-bromo-3-fluorophenyl)methyl]-1-(2-methoxyphenyl)propan-2-amine has a molecular weight of 352.25 g/mol, XLogP of 4.32, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromo-3-fluorophenyl)methyl]-1-(2-methoxyphenyl)propan-2-amine is sourced from PubChem (CID 81432305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).