1-[3-bromo-4-[(4-bromo-2-fluorophenyl)methoxy]phenyl]propan-2-amine

C16H16Br2FNO — CID 63422291

IUPAC1-[3-bromo-4-[(4-bromo-2-fluorophenyl)methoxy]phenyl]propan-2-amine
SMILESCC(N)Cc1ccc(OCc2ccc(Br)cc2F)c(Br)c1
InChIInChI=1S/C16H16Br2FNO/c1-10(20)6-11-2-5-16(14(18)7-11)21-9-12-3-4-13(17)8-15(12)19/h2-5,7-8,10H,6,9,20H2,1H3
InChIKeyZTZPSQQUWNALDB-UHFFFAOYSA-N
MW417.12 g/mol
LogP4.82
Rot. Bonds5

About 1-[3-bromo-4-[(4-bromo-2-fluorophenyl)methoxy]phenyl]propan-2-amine

1-[3-bromo-4-[(4-bromo-2-fluorophenyl)methoxy]phenyl]propan-2-amine (PubChem CID 63422291) has the molecular formula C16H16Br2FNO and a molecular weight of 417.12 g/mol. Its IUPAC name is 1-[3-bromo-4-[(4-bromo-2-fluorophenyl)methoxy]phenyl]propan-2-amine.

Molecular Properties

Compound Name1-[3-bromo-4-[(4-bromo-2-fluorophenyl)methoxy]phenyl]propan-2-amine
PubChem CID63422291
Molecular FormulaC16H16Br2FNO
Molecular Weight417.12 g/mol
Exact Mass414.96
IUPAC Name1-[3-bromo-4-[(4-bromo-2-fluorophenyl)methoxy]phenyl]propan-2-amine
SMILESCC(N)Cc1ccc(OCc2ccc(Br)cc2F)c(Br)c1
InChIInChI=1S/C16H16Br2FNO/c1-10(20)6-11-2-5-16(14(18)7-11)21-9-12-3-4-13(17)8-15(12)19/h2-5,7-8,10H,6,9,20H2,1H3
InChIKeyZTZPSQQUWNALDB-UHFFFAOYSA-N
XLogP4.82
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.12
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[3-bromo-4-[(2-bromo-4-fluorophenyl)methoxy]phenyl]propan-2-amine
CID 63421985
1-[2-[(4-bromo-2-fluorophenyl)methoxy]-6-chlorophenyl]propan-2-amine
CID 114321906
2-bromo-1-[(4-bromo-2-fluorophenyl)methoxy]-4-(chloromethyl)benzene
CID 63536412
1-[3-bromo-4-[(2-chloro-4-methylphenyl)methoxy]phenyl]propan-2-amine
CID 106868969
1-[5-bromo-2-[(2,4-difluorophenyl)methoxy]phenyl]propan-2-amine
CID 62196738
1-[5-bromo-2-[(4-chloro-2-fluorophenyl)methoxy]phenyl]propan-2-amine
CID 114857471
1-[5-bromo-2-[(5-bromo-2-fluorophenyl)methoxy]phenyl]propan-2-amine
CID 63421430
1-[3-bromo-4-(2-fluoroethoxy)phenyl]propan-2-amine
CID 80696097
1-[5-bromo-2-[(4-fluorophenyl)methoxy]phenyl]propan-2-amine
CID 60908427
1-[(4-bromo-2-fluorophenyl)methoxy]-4-(bromomethyl)-2-chlorobenzene
CID 63534537
1-[4-[(2-bromo-3-fluorophenyl)methoxy]-3-fluorophenyl]propan-2-amine
CID 107693014
4-[(4-bromo-2-fluorophenyl)methoxy]-3-fluoroaniline
CID 43381966

Frequently Asked Questions

What is the IUPAC name of 1-[3-bromo-4-[(4-bromo-2-fluorophenyl)methoxy]phenyl]propan-2-amine?
The IUPAC name of 1-[3-bromo-4-[(4-bromo-2-fluorophenyl)methoxy]phenyl]propan-2-amine (CID 63422291) is 1-[3-bromo-4-[(4-bromo-2-fluorophenyl)methoxy]phenyl]propan-2-amine.
What is the SMILES notation for 1-[3-bromo-4-[(4-bromo-2-fluorophenyl)methoxy]phenyl]propan-2-amine?
The canonical SMILES for 1-[3-bromo-4-[(4-bromo-2-fluorophenyl)methoxy]phenyl]propan-2-amine is CC(N)Cc1ccc(OCc2ccc(Br)cc2F)c(Br)c1.
What is the InChIKey of 1-[3-bromo-4-[(4-bromo-2-fluorophenyl)methoxy]phenyl]propan-2-amine?
The InChIKey is ZTZPSQQUWNALDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16Br2FNO/c1-10(20)6-11-2-5-16(14(18)7-11)21-9-12-3-4-13(17)8-15(12)19/h2-5,7-8,10H,6,9,20H2,1H3.
What are the key properties of 1-[3-bromo-4-[(4-bromo-2-fluorophenyl)methoxy]phenyl]propan-2-amine?
1-[3-bromo-4-[(4-bromo-2-fluorophenyl)methoxy]phenyl]propan-2-amine has a molecular weight of 417.12 g/mol, XLogP of 4.82, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-bromo-4-[(4-bromo-2-fluorophenyl)methoxy]phenyl]propan-2-amine is sourced from PubChem (CID 63422291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).