1-(5-bromo-2-methoxyphenyl)-2-(2-fluorophenyl)butan-2-amine

C17H19BrFNO — CID 115996356

IUPAC1-(5-bromo-2-methoxyphenyl)-2-(2-fluorophenyl)butan-2-amine
SMILESCCC(N)(Cc1cc(Br)ccc1OC)c1ccccc1F
InChIInChI=1S/C17H19BrFNO/c1-3-17(20,14-6-4-5-7-15(14)19)11-12-10-13(18)8-9-16(12)21-2/h4-10H,3,11,20H2,1-2H3
InChIKeyHIZZJISPRDRWRC-UHFFFAOYSA-N
MW352.25 g/mol
LogP4.40
Rot. Bonds5

About 1-(5-bromo-2-methoxyphenyl)-2-(2-fluorophenyl)butan-2-amine

1-(5-bromo-2-methoxyphenyl)-2-(2-fluorophenyl)butan-2-amine (PubChem CID 115996356) has the molecular formula C17H19BrFNO and a molecular weight of 352.25 g/mol. Its IUPAC name is 1-(5-bromo-2-methoxyphenyl)-2-(2-fluorophenyl)butan-2-amine.

Molecular Properties

Compound Name1-(5-bromo-2-methoxyphenyl)-2-(2-fluorophenyl)butan-2-amine
PubChem CID115996356
Molecular FormulaC17H19BrFNO
Molecular Weight352.25 g/mol
Exact Mass351.06
IUPAC Name1-(5-bromo-2-methoxyphenyl)-2-(2-fluorophenyl)butan-2-amine
SMILESCCC(N)(Cc1cc(Br)ccc1OC)c1ccccc1F
InChIInChI=1S/C17H19BrFNO/c1-3-17(20,14-6-4-5-7-15(14)19)11-12-10-13(18)8-9-16(12)21-2/h4-10H,3,11,20H2,1-2H3
InChIKeyHIZZJISPRDRWRC-UHFFFAOYSA-N
XLogP4.40
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.25
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-bromo-2-fluorophenyl)-2-(2-fluorophenyl)butan-2-amine
CID 115996357
1-(5-chloro-2-methoxyphenyl)-2-(2-fluorophenyl)propan-2-amine
CID 62622550
1-(5-chloro-2-methoxyphenyl)-2-(2-fluorophenyl)butan-2-ol
CID 115996259
2-[(5-bromo-2-methoxyphenyl)methyl]-2-methylbutan-1-amine
CID 62725313
3-(5-bromo-2-methoxyphenyl)-2-fluoro-2-methylpropan-1-amine
CID 112565229
2-(2-fluorophenyl)-1-phenylbutan-2-amine
CID 79007656
2-[(5-bromo-2-methoxyphenyl)methyl]-2-phenylbutan-1-ol
CID 66059989
1-(2-fluoro-3-methoxyphenyl)-1-(2-fluorophenyl)propan-1-amine
CID 115996414
4-bromo-2-(2-chloro-2-methylpropyl)-1-methoxybenzene
CID 4605776
1-[(5-bromo-2-methoxyphenyl)methoxy]-2-methylbutan-2-amine
CID 64573817
2-[(5-bromo-2-methoxyphenyl)methoxy]-1-(bromomethyl)-3-fluorobenzene
CID 115956804
3-[(5-bromo-2-methoxyphenyl)methoxy]-1,2,4,5-tetrafluorobenzene
CID 103289758

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2-methoxyphenyl)-2-(2-fluorophenyl)butan-2-amine?
The IUPAC name of 1-(5-bromo-2-methoxyphenyl)-2-(2-fluorophenyl)butan-2-amine (CID 115996356) is 1-(5-bromo-2-methoxyphenyl)-2-(2-fluorophenyl)butan-2-amine.
What is the SMILES notation for 1-(5-bromo-2-methoxyphenyl)-2-(2-fluorophenyl)butan-2-amine?
The canonical SMILES for 1-(5-bromo-2-methoxyphenyl)-2-(2-fluorophenyl)butan-2-amine is CCC(N)(Cc1cc(Br)ccc1OC)c1ccccc1F.
What is the InChIKey of 1-(5-bromo-2-methoxyphenyl)-2-(2-fluorophenyl)butan-2-amine?
The InChIKey is HIZZJISPRDRWRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19BrFNO/c1-3-17(20,14-6-4-5-7-15(14)19)11-12-10-13(18)8-9-16(12)21-2/h4-10H,3,11,20H2,1-2H3.
What are the key properties of 1-(5-bromo-2-methoxyphenyl)-2-(2-fluorophenyl)butan-2-amine?
1-(5-bromo-2-methoxyphenyl)-2-(2-fluorophenyl)butan-2-amine has a molecular weight of 352.25 g/mol, XLogP of 4.40, 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-methoxyphenyl)-2-(2-fluorophenyl)butan-2-amine is sourced from PubChem (CID 115996356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).