1-[5-bromo-2-[(4-chloro-2-fluorophenyl)methoxy]phenyl]propan-2-amine

C16H16BrClFNO — CID 114857471

IUPAC1-[5-bromo-2-[(4-chloro-2-fluorophenyl)methoxy]phenyl]propan-2-amine
SMILESCC(N)Cc1cc(Br)ccc1OCc1ccc(Cl)cc1F
InChIInChI=1S/C16H16BrClFNO/c1-10(20)6-12-7-13(17)3-5-16(12)21-9-11-2-4-14(18)8-15(11)19/h2-5,7-8,10H,6,9,20H2,1H3
InChIKeyFRWRMMKQYZXTKR-UHFFFAOYSA-N
MW372.67 g/mol
LogP4.71
Rot. Bonds5

About 1-[5-bromo-2-[(4-chloro-2-fluorophenyl)methoxy]phenyl]propan-2-amine

1-[5-bromo-2-[(4-chloro-2-fluorophenyl)methoxy]phenyl]propan-2-amine (PubChem CID 114857471) has the molecular formula C16H16BrClFNO and a molecular weight of 372.67 g/mol. Its IUPAC name is 1-[5-bromo-2-[(4-chloro-2-fluorophenyl)methoxy]phenyl]propan-2-amine.

Molecular Properties

Compound Name1-[5-bromo-2-[(4-chloro-2-fluorophenyl)methoxy]phenyl]propan-2-amine
PubChem CID114857471
Molecular FormulaC16H16BrClFNO
Molecular Weight372.67 g/mol
Exact Mass371.01
IUPAC Name1-[5-bromo-2-[(4-chloro-2-fluorophenyl)methoxy]phenyl]propan-2-amine
SMILESCC(N)Cc1cc(Br)ccc1OCc1ccc(Cl)cc1F
InChIInChI=1S/C16H16BrClFNO/c1-10(20)6-12-7-13(17)3-5-16(12)21-9-11-2-4-14(18)8-15(11)19/h2-5,7-8,10H,6,9,20H2,1H3
InChIKeyFRWRMMKQYZXTKR-UHFFFAOYSA-N
XLogP4.71
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.67
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[5-bromo-2-[(2,4-difluorophenyl)methoxy]phenyl]propan-2-amine
CID 62196738
1-[5-bromo-2-[(5-bromo-2-fluorophenyl)methoxy]phenyl]propan-2-amine
CID 63421430
1-[5-chloro-2-[(2,4-difluorophenyl)methoxy]phenyl]propan-2-amine
CID 62196739
1-[2-[(4-bromo-2-fluorophenyl)methoxy]-6-chlorophenyl]propan-2-amine
CID 114321906
1-[(5-bromo-2-fluorophenoxy)methyl]-4-chloro-2-fluorobenzene
CID 114849366
1-[3-bromo-4-[(4-bromo-2-fluorophenyl)methoxy]phenyl]propan-2-amine
CID 63422291
1-[5-bromo-2-[(4-chloro-2-fluorophenyl)methoxy]phenyl]-N-methylethanamine
CID 114847977
1-[5-bromo-2-[(4-fluorophenyl)methoxy]phenyl]propan-2-amine
CID 60908427
1-[2-[(4-bromo-2-fluorophenyl)methoxy]-5-chlorophenyl]ethanol
CID 62074774
(1R)-1-[2-[(4-bromo-2-fluorophenyl)methoxy]-5-chlorophenyl]ethanol
CID 63364498
1-[[2-(bromomethyl)-4-chlorophenoxy]methyl]-4-chloro-2-fluorobenzene
CID 89437045
1-[5-chloro-2-[(2-chloro-3-fluorophenyl)methoxy]phenyl]propan-2-amine
CID 115984032

Frequently Asked Questions

What is the IUPAC name of 1-[5-bromo-2-[(4-chloro-2-fluorophenyl)methoxy]phenyl]propan-2-amine?
The IUPAC name of 1-[5-bromo-2-[(4-chloro-2-fluorophenyl)methoxy]phenyl]propan-2-amine (CID 114857471) is 1-[5-bromo-2-[(4-chloro-2-fluorophenyl)methoxy]phenyl]propan-2-amine.
What is the SMILES notation for 1-[5-bromo-2-[(4-chloro-2-fluorophenyl)methoxy]phenyl]propan-2-amine?
The canonical SMILES for 1-[5-bromo-2-[(4-chloro-2-fluorophenyl)methoxy]phenyl]propan-2-amine is CC(N)Cc1cc(Br)ccc1OCc1ccc(Cl)cc1F.
What is the InChIKey of 1-[5-bromo-2-[(4-chloro-2-fluorophenyl)methoxy]phenyl]propan-2-amine?
The InChIKey is FRWRMMKQYZXTKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrClFNO/c1-10(20)6-12-7-13(17)3-5-16(12)21-9-11-2-4-14(18)8-15(11)19/h2-5,7-8,10H,6,9,20H2,1H3.
What are the key properties of 1-[5-bromo-2-[(4-chloro-2-fluorophenyl)methoxy]phenyl]propan-2-amine?
1-[5-bromo-2-[(4-chloro-2-fluorophenyl)methoxy]phenyl]propan-2-amine has a molecular weight of 372.67 g/mol, XLogP of 4.71, 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-[(4-chloro-2-fluorophenyl)methoxy]phenyl]propan-2-amine is sourced from PubChem (CID 114857471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).