1-[5-bromo-2-[(5-bromo-2-fluorophenyl)methoxy]phenyl]propan-2-amine

C16H16Br2FNO — CID 63421430

IUPAC1-[5-bromo-2-[(5-bromo-2-fluorophenyl)methoxy]phenyl]propan-2-amine
SMILESCC(N)Cc1cc(Br)ccc1OCc1cc(Br)ccc1F
InChIInChI=1S/C16H16Br2FNO/c1-10(20)6-11-7-14(18)3-5-16(11)21-9-12-8-13(17)2-4-15(12)19/h2-5,7-8,10H,6,9,20H2,1H3
InChIKeyUURBICZUTMZQQY-UHFFFAOYSA-N
MW417.12 g/mol
LogP4.82
Rot. Bonds5

About 1-[5-bromo-2-[(5-bromo-2-fluorophenyl)methoxy]phenyl]propan-2-amine

1-[5-bromo-2-[(5-bromo-2-fluorophenyl)methoxy]phenyl]propan-2-amine (PubChem CID 63421430) has the molecular formula C16H16Br2FNO and a molecular weight of 417.12 g/mol. Its IUPAC name is 1-[5-bromo-2-[(5-bromo-2-fluorophenyl)methoxy]phenyl]propan-2-amine.

Molecular Properties

Compound Name1-[5-bromo-2-[(5-bromo-2-fluorophenyl)methoxy]phenyl]propan-2-amine
PubChem CID63421430
Molecular FormulaC16H16Br2FNO
Molecular Weight417.12 g/mol
Exact Mass414.96
IUPAC Name1-[5-bromo-2-[(5-bromo-2-fluorophenyl)methoxy]phenyl]propan-2-amine
SMILESCC(N)Cc1cc(Br)ccc1OCc1cc(Br)ccc1F
InChIInChI=1S/C16H16Br2FNO/c1-10(20)6-11-7-14(18)3-5-16(11)21-9-12-8-13(17)2-4-15(12)19/h2-5,7-8,10H,6,9,20H2,1H3
InChIKeyUURBICZUTMZQQY-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-[5-bromo-2-[(4-chloro-2-fluorophenyl)methoxy]phenyl]propan-2-amine
CID 114857471
1-[5-bromo-2-[(2,4-difluorophenyl)methoxy]phenyl]propan-2-amine
CID 62196738
1-[5-bromo-2-[(4-fluorophenyl)methoxy]phenyl]propan-2-amine
CID 60908427
1-[5-bromo-2-[(5-bromo-2-fluorophenyl)methoxy]phenyl]ethanol
CID 63533682
1-[5-bromo-2-[(2,5-difluorophenyl)methoxy]phenyl]ethanamine
CID 62369042
1-(5-bromo-2-methoxyphenyl)propan-2-amine
CID 43141128
1-[3-bromo-4-[(4-bromo-2-fluorophenyl)methoxy]phenyl]propan-2-amine
CID 63422291
1-(5-bromo-2-prop-2-enoxyphenyl)propan-2-amine
CID 60907452
2-[2-[(5-bromo-2-fluorophenyl)methoxy]-5-chlorophenyl]ethanamine
CID 60904821
1-[5-bromo-2-(3,3,3-trifluoropropoxy)phenyl]propan-2-amine
CID 64566147
(1R)-1-[4-bromo-2-[(5-chloro-2-fluorophenyl)methoxy]phenyl]ethanamine
CID 103046500
1-[5-bromo-2-(ethoxymethoxy)phenyl]propan-2-amine
CID 65369215

Frequently Asked Questions

What is the IUPAC name of 1-[5-bromo-2-[(5-bromo-2-fluorophenyl)methoxy]phenyl]propan-2-amine?
The IUPAC name of 1-[5-bromo-2-[(5-bromo-2-fluorophenyl)methoxy]phenyl]propan-2-amine (CID 63421430) is 1-[5-bromo-2-[(5-bromo-2-fluorophenyl)methoxy]phenyl]propan-2-amine.
What is the SMILES notation for 1-[5-bromo-2-[(5-bromo-2-fluorophenyl)methoxy]phenyl]propan-2-amine?
The canonical SMILES for 1-[5-bromo-2-[(5-bromo-2-fluorophenyl)methoxy]phenyl]propan-2-amine is CC(N)Cc1cc(Br)ccc1OCc1cc(Br)ccc1F.
What is the InChIKey of 1-[5-bromo-2-[(5-bromo-2-fluorophenyl)methoxy]phenyl]propan-2-amine?
The InChIKey is UURBICZUTMZQQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16Br2FNO/c1-10(20)6-11-7-14(18)3-5-16(11)21-9-12-8-13(17)2-4-15(12)19/h2-5,7-8,10H,6,9,20H2,1H3.
What are the key properties of 1-[5-bromo-2-[(5-bromo-2-fluorophenyl)methoxy]phenyl]propan-2-amine?
1-[5-bromo-2-[(5-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-[5-bromo-2-[(5-bromo-2-fluorophenyl)methoxy]phenyl]propan-2-amine is sourced from PubChem (CID 63421430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).