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

C16H17BrFNO — CID 60908427

IUPAC1-[5-bromo-2-[(4-fluorophenyl)methoxy]phenyl]propan-2-amine
SMILESCC(N)Cc1cc(Br)ccc1OCc1ccc(F)cc1
InChIInChI=1S/C16H17BrFNO/c1-11(19)8-13-9-14(17)4-7-16(13)20-10-12-2-5-15(18)6-3-12/h2-7,9,11H,8,10,19H2,1H3
InChIKeyHFMJWCLVRLNOPI-UHFFFAOYSA-N
MW338.22 g/mol
LogP4.06
Rot. Bonds5

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

1-[5-bromo-2-[(4-fluorophenyl)methoxy]phenyl]propan-2-amine (PubChem CID 60908427) has the molecular formula C16H17BrFNO and a molecular weight of 338.22 g/mol. Its IUPAC name is 1-[5-bromo-2-[(4-fluorophenyl)methoxy]phenyl]propan-2-amine.

Molecular Properties

Compound Name1-[5-bromo-2-[(4-fluorophenyl)methoxy]phenyl]propan-2-amine
PubChem CID60908427
Molecular FormulaC16H17BrFNO
Molecular Weight338.22 g/mol
Exact Mass337.05
IUPAC Name1-[5-bromo-2-[(4-fluorophenyl)methoxy]phenyl]propan-2-amine
SMILESCC(N)Cc1cc(Br)ccc1OCc1ccc(F)cc1
InChIInChI=1S/C16H17BrFNO/c1-11(19)8-13-9-14(17)4-7-16(13)20-10-12-2-5-15(18)6-3-12/h2-7,9,11H,8,10,19H2,1H3
InChIKeyHFMJWCLVRLNOPI-UHFFFAOYSA-N
XLogP4.06
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.22
LogP ≤ 54.06
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-fluoro-2-[(4-methoxyphenyl)methoxy]phenyl]propan-2-amine
CID 107700785
1-[2-[(4-bromophenyl)methoxy]-5-methoxyphenyl]propan-2-amine
CID 60906463
1-[5-bromo-2-[(4-chloro-2-fluorophenyl)methoxy]phenyl]propan-2-amine
CID 114857471
N-[[5-bromo-2-[(4-fluorophenyl)methoxy]phenyl]methyl]butan-2-amine;hydrochloride
CID 17291422
1-[2-[(3-bromo-5-fluorophenyl)methoxy]phenyl]propan-2-amine
CID 79709715
1-(5-bromo-2-methoxyphenyl)propan-2-amine
CID 43141128
1-[5-bromo-2-[(4-chlorophenyl)methoxy]phenyl]butan-2-amine
CID 63421165
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
1-[5-bromo-2-(3,3,3-trifluoropropoxy)phenyl]propan-2-amine
CID 64566147

Frequently Asked Questions

What is the IUPAC name of 1-[5-bromo-2-[(4-fluorophenyl)methoxy]phenyl]propan-2-amine?
The IUPAC name of 1-[5-bromo-2-[(4-fluorophenyl)methoxy]phenyl]propan-2-amine (CID 60908427) is 1-[5-bromo-2-[(4-fluorophenyl)methoxy]phenyl]propan-2-amine.
What is the SMILES notation for 1-[5-bromo-2-[(4-fluorophenyl)methoxy]phenyl]propan-2-amine?
The canonical SMILES for 1-[5-bromo-2-[(4-fluorophenyl)methoxy]phenyl]propan-2-amine is CC(N)Cc1cc(Br)ccc1OCc1ccc(F)cc1.
What is the InChIKey of 1-[5-bromo-2-[(4-fluorophenyl)methoxy]phenyl]propan-2-amine?
The InChIKey is HFMJWCLVRLNOPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrFNO/c1-11(19)8-13-9-14(17)4-7-16(13)20-10-12-2-5-15(18)6-3-12/h2-7,9,11H,8,10,19H2,1H3.
What are the key properties of 1-[5-bromo-2-[(4-fluorophenyl)methoxy]phenyl]propan-2-amine?
1-[5-bromo-2-[(4-fluorophenyl)methoxy]phenyl]propan-2-amine has a molecular weight of 338.22 g/mol, XLogP of 4.06, 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-fluorophenyl)methoxy]phenyl]propan-2-amine is sourced from PubChem (CID 60908427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).