1-[2-bromo-5-[(3,4-difluorophenyl)methoxy]phenyl]propan-2-amine

C16H16BrF2NO — CID 82915380

IUPAC1-[2-bromo-5-[(3,4-difluorophenyl)methoxy]phenyl]propan-2-amine
SMILESCC(N)Cc1cc(OCc2ccc(F)c(F)c2)ccc1Br
InChIInChI=1S/C16H16BrF2NO/c1-10(20)6-12-8-13(3-4-14(12)17)21-9-11-2-5-15(18)16(19)7-11/h2-5,7-8,10H,6,9,20H2,1H3
InChIKeyZGTZCZFUVFRVRY-UHFFFAOYSA-N
MW356.21 g/mol
LogP4.20
Rot. Bonds5

About 1-[2-bromo-5-[(3,4-difluorophenyl)methoxy]phenyl]propan-2-amine

1-[2-bromo-5-[(3,4-difluorophenyl)methoxy]phenyl]propan-2-amine (PubChem CID 82915380) has the molecular formula C16H16BrF2NO and a molecular weight of 356.21 g/mol. Its IUPAC name is 1-[2-bromo-5-[(3,4-difluorophenyl)methoxy]phenyl]propan-2-amine.

Molecular Properties

Compound Name1-[2-bromo-5-[(3,4-difluorophenyl)methoxy]phenyl]propan-2-amine
PubChem CID82915380
Molecular FormulaC16H16BrF2NO
Molecular Weight356.21 g/mol
Exact Mass355.04
IUPAC Name1-[2-bromo-5-[(3,4-difluorophenyl)methoxy]phenyl]propan-2-amine
SMILESCC(N)Cc1cc(OCc2ccc(F)c(F)c2)ccc1Br
InChIInChI=1S/C16H16BrF2NO/c1-10(20)6-12-8-13(3-4-14(12)17)21-9-11-2-5-15(18)16(19)7-11/h2-5,7-8,10H,6,9,20H2,1H3
InChIKeyZGTZCZFUVFRVRY-UHFFFAOYSA-N
XLogP4.20
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.21
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[2-bromo-5-[(3,4-difluorophenyl)methoxy]phenyl]methanol
CID 82918272
1-[2-bromo-5-[(3-chloro-2-fluorophenyl)methoxy]phenyl]propan-2-amine
CID 102858124
1-bromo-2-(bromomethyl)-4-[(3-chloro-4-fluorophenyl)methoxy]benzene
CID 103038485
2-bromo-5-[(3,4-difluorophenyl)methoxy]benzaldehyde
CID 82918902
1-[3-[(3,4-difluorophenyl)methoxy]phenyl]ethanamine
CID 82918244
(2S)-1-(2-bromo-5-fluorophenyl)propan-2-amine
CID 71270516
[4-[(3,4-difluorophenyl)methoxy]-2-fluorophenyl]methanamine
CID 82919254
(1R)-1-[4-[(3,4-difluorophenyl)methoxy]-2-fluorophenyl]ethanol
CID 107719922
1-[4-[(2-bromo-4-fluorophenyl)methoxy]phenyl]propan-2-amine
CID 60908405
1-[2-[(3-bromo-2,6-difluorophenyl)methoxy]phenyl]propan-2-amine
CID 106269159
1-[2,5-bis(phenylmethoxy)phenyl]propan-2-amine
CID 170864797
1-(3,4-difluorophenoxy)-3-methylbutan-2-amine
CID 86262545

Frequently Asked Questions

What is the IUPAC name of 1-[2-bromo-5-[(3,4-difluorophenyl)methoxy]phenyl]propan-2-amine?
The IUPAC name of 1-[2-bromo-5-[(3,4-difluorophenyl)methoxy]phenyl]propan-2-amine (CID 82915380) is 1-[2-bromo-5-[(3,4-difluorophenyl)methoxy]phenyl]propan-2-amine.
What is the SMILES notation for 1-[2-bromo-5-[(3,4-difluorophenyl)methoxy]phenyl]propan-2-amine?
The canonical SMILES for 1-[2-bromo-5-[(3,4-difluorophenyl)methoxy]phenyl]propan-2-amine is CC(N)Cc1cc(OCc2ccc(F)c(F)c2)ccc1Br.
What is the InChIKey of 1-[2-bromo-5-[(3,4-difluorophenyl)methoxy]phenyl]propan-2-amine?
The InChIKey is ZGTZCZFUVFRVRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrF2NO/c1-10(20)6-12-8-13(3-4-14(12)17)21-9-11-2-5-15(18)16(19)7-11/h2-5,7-8,10H,6,9,20H2,1H3.
What are the key properties of 1-[2-bromo-5-[(3,4-difluorophenyl)methoxy]phenyl]propan-2-amine?
1-[2-bromo-5-[(3,4-difluorophenyl)methoxy]phenyl]propan-2-amine has a molecular weight of 356.21 g/mol, XLogP of 4.20, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-bromo-5-[(3,4-difluorophenyl)methoxy]phenyl]propan-2-amine is sourced from PubChem (CID 82915380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).