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

C16H16BrF2NO — CID 79882528

IUPAC1-[4-[(2-bromophenyl)methoxy]-3,5-difluorophenyl]propan-2-amine
SMILESCC(N)Cc1cc(F)c(OCc2ccccc2Br)c(F)c1
InChIInChI=1S/C16H16BrF2NO/c1-10(20)6-11-7-14(18)16(15(19)8-11)21-9-12-4-2-3-5-13(12)17/h2-5,7-8,10H,6,9,20H2,1H3
InChIKeyMOUOSIZLTZYMML-UHFFFAOYSA-N
MW356.21 g/mol
LogP4.20
Rot. Bonds5

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

1-[4-[(2-bromophenyl)methoxy]-3,5-difluorophenyl]propan-2-amine (PubChem CID 79882528) has the molecular formula C16H16BrF2NO and a molecular weight of 356.21 g/mol. Its IUPAC name is 1-[4-[(2-bromophenyl)methoxy]-3,5-difluorophenyl]propan-2-amine.

Molecular Properties

Compound Name1-[4-[(2-bromophenyl)methoxy]-3,5-difluorophenyl]propan-2-amine
PubChem CID79882528
Molecular FormulaC16H16BrF2NO
Molecular Weight356.21 g/mol
Exact Mass355.04
IUPAC Name1-[4-[(2-bromophenyl)methoxy]-3,5-difluorophenyl]propan-2-amine
SMILESCC(N)Cc1cc(F)c(OCc2ccccc2Br)c(F)c1
InChIInChI=1S/C16H16BrF2NO/c1-10(20)6-11-7-14(18)16(15(19)8-11)21-9-12-4-2-3-5-13(12)17/h2-5,7-8,10H,6,9,20H2,1H3
InChIKeyMOUOSIZLTZYMML-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

1-[2-[(2-bromo-4-fluorophenyl)methoxy]-3-fluorophenyl]propan-2-amine
CID 115958703
1-[2-[(2-bromophenyl)methoxy]phenyl]propan-2-amine
CID 54930668
1-[2-[(2-bromophenyl)methoxy]-3-fluorophenyl]butan-2-amine
CID 115958837
4-[(2-bromophenyl)methoxy]-3,5-difluorobenzonitrile
CID 82825940
1-(4-ethoxy-3,5-difluorophenyl)propan-2-amine;hydrochloride
CID 170894171
1-[4-(2-ethylphenoxy)-3,5-difluorophenyl]propan-2-amine
CID 63802310
1-[4-[(2-bromo-3-fluorophenyl)methoxy]-3-fluorophenyl]propan-2-amine
CID 107693014
1-[4-[(2-bromo-4-fluorophenyl)methoxy]phenyl]propan-2-amine
CID 60908405
4-[(2-bromophenyl)methoxy]-3,5-difluorobenzenesulfonyl chloride
CID 81264837
1-[2-[(2-bromophenyl)methoxy]-6-chlorophenyl]propan-2-amine
CID 114321926
(2R)-1-(3-bromo-2-fluorophenyl)propan-2-amine
CID 130682344
[4-[(2-bromophenyl)methoxy]-3-fluorophenyl]methanamine
CID 82828276

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(2-bromophenyl)methoxy]-3,5-difluorophenyl]propan-2-amine?
The IUPAC name of 1-[4-[(2-bromophenyl)methoxy]-3,5-difluorophenyl]propan-2-amine (CID 79882528) is 1-[4-[(2-bromophenyl)methoxy]-3,5-difluorophenyl]propan-2-amine.
What is the SMILES notation for 1-[4-[(2-bromophenyl)methoxy]-3,5-difluorophenyl]propan-2-amine?
The canonical SMILES for 1-[4-[(2-bromophenyl)methoxy]-3,5-difluorophenyl]propan-2-amine is CC(N)Cc1cc(F)c(OCc2ccccc2Br)c(F)c1.
What is the InChIKey of 1-[4-[(2-bromophenyl)methoxy]-3,5-difluorophenyl]propan-2-amine?
The InChIKey is MOUOSIZLTZYMML-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrF2NO/c1-10(20)6-11-7-14(18)16(15(19)8-11)21-9-12-4-2-3-5-13(12)17/h2-5,7-8,10H,6,9,20H2,1H3.
What are the key properties of 1-[4-[(2-bromophenyl)methoxy]-3,5-difluorophenyl]propan-2-amine?
1-[4-[(2-bromophenyl)methoxy]-3,5-difluorophenyl]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-[4-[(2-bromophenyl)methoxy]-3,5-difluorophenyl]propan-2-amine is sourced from PubChem (CID 79882528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).