1-(4-bromo-3-methylphenoxy)-1-(2-fluorophenyl)butan-2-amine

C17H19BrFNO — CID 83135800

IUPAC1-(4-bromo-3-methylphenoxy)-1-(2-fluorophenyl)butan-2-amine
SMILESCCC(N)C(Oc1ccc(Br)c(C)c1)c1ccccc1F
InChIInChI=1S/C17H19BrFNO/c1-3-16(20)17(13-6-4-5-7-15(13)19)21-12-8-9-14(18)11(2)10-12/h4-10,16-17H,3,20H2,1-2H3
InChIKeyODKHGIWLVNXJRN-UHFFFAOYSA-N
MW352.25 g/mol
LogP4.75
Rot. Bonds5

About 1-(4-bromo-3-methylphenoxy)-1-(2-fluorophenyl)butan-2-amine

1-(4-bromo-3-methylphenoxy)-1-(2-fluorophenyl)butan-2-amine (PubChem CID 83135800) has the molecular formula C17H19BrFNO and a molecular weight of 352.25 g/mol. Its IUPAC name is 1-(4-bromo-3-methylphenoxy)-1-(2-fluorophenyl)butan-2-amine.

Molecular Properties

Compound Name1-(4-bromo-3-methylphenoxy)-1-(2-fluorophenyl)butan-2-amine
PubChem CID83135800
Molecular FormulaC17H19BrFNO
Molecular Weight352.25 g/mol
Exact Mass351.06
IUPAC Name1-(4-bromo-3-methylphenoxy)-1-(2-fluorophenyl)butan-2-amine
SMILESCCC(N)C(Oc1ccc(Br)c(C)c1)c1ccccc1F
InChIInChI=1S/C17H19BrFNO/c1-3-16(20)17(13-6-4-5-7-15(13)19)21-12-8-9-14(18)11(2)10-12/h4-10,16-17H,3,20H2,1-2H3
InChIKeyODKHGIWLVNXJRN-UHFFFAOYSA-N
XLogP4.75
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 ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-bromophenyl)-1-(4-chloro-3-methylphenoxy)butan-2-amine
CID 63459343
1-(4-bromo-3-methylphenoxy)-1-pyridin-2-ylbutan-2-amine
CID 83133333
1-(4-bromo-3-methylphenoxy)-1-thiophen-2-ylbutan-2-amine
CID 83134104
2-(4-bromo-3-methylphenoxy)-1,1,1-trifluoropentan-3-amine
CID 83133335
1-(4-chloro-3-methylphenoxy)-1-(2-chlorophenyl)butan-2-amine
CID 63459345
1-(2-fluoro-5-methylphenoxy)-1-(2-fluorophenyl)butan-2-amine
CID 64853420
1-(3-bromo-5-fluorophenoxy)-1-(2-bromophenyl)butan-2-amine
CID 81315466
1-(4-bromophenoxy)-1-(2-chlorophenyl)butan-2-amine
CID 63458294
1-(4-bromo-3-methylphenoxy)-1-phenylpropan-2-amine
CID 83133006
1-(3-bromo-4-fluorophenoxy)-1-(5-methylfuran-2-yl)butan-2-amine
CID 83233186
1-(4-bromo-3-fluorophenoxy)-1-(3-chlorophenyl)butan-2-amine
CID 65203639
1-(3-bromo-4-fluorophenoxy)-1-(furan-2-yl)butan-2-amine
CID 83232350

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-3-methylphenoxy)-1-(2-fluorophenyl)butan-2-amine?
The IUPAC name of 1-(4-bromo-3-methylphenoxy)-1-(2-fluorophenyl)butan-2-amine (CID 83135800) is 1-(4-bromo-3-methylphenoxy)-1-(2-fluorophenyl)butan-2-amine.
What is the SMILES notation for 1-(4-bromo-3-methylphenoxy)-1-(2-fluorophenyl)butan-2-amine?
The canonical SMILES for 1-(4-bromo-3-methylphenoxy)-1-(2-fluorophenyl)butan-2-amine is CCC(N)C(Oc1ccc(Br)c(C)c1)c1ccccc1F.
What is the InChIKey of 1-(4-bromo-3-methylphenoxy)-1-(2-fluorophenyl)butan-2-amine?
The InChIKey is ODKHGIWLVNXJRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19BrFNO/c1-3-16(20)17(13-6-4-5-7-15(13)19)21-12-8-9-14(18)11(2)10-12/h4-10,16-17H,3,20H2,1-2H3.
What are the key properties of 1-(4-bromo-3-methylphenoxy)-1-(2-fluorophenyl)butan-2-amine?
1-(4-bromo-3-methylphenoxy)-1-(2-fluorophenyl)butan-2-amine has a molecular weight of 352.25 g/mol, XLogP of 4.75, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-3-methylphenoxy)-1-(2-fluorophenyl)butan-2-amine is sourced from PubChem (CID 83135800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).