2-[4-(5-bromo-2-fluorophenoxy)-2-methylphenyl]ethanamine

C15H15BrFNO — CID 114677126

IUPAC2-[4-(5-bromo-2-fluorophenoxy)-2-methylphenyl]ethanamine
SMILESCc1cc(Oc2cc(Br)ccc2F)ccc1CCN
InChIInChI=1S/C15H15BrFNO/c1-10-8-13(4-2-11(10)6-7-18)19-15-9-12(16)3-5-14(15)17/h2-5,8-9H,6-7,18H2,1H3
InChIKeySCEMWPATRVYWBW-UHFFFAOYSA-N
MW324.19 g/mol
LogP4.19
Rot. Bonds4

About 2-[4-(5-bromo-2-fluorophenoxy)-2-methylphenyl]ethanamine

2-[4-(5-bromo-2-fluorophenoxy)-2-methylphenyl]ethanamine (PubChem CID 114677126) has the molecular formula C15H15BrFNO and a molecular weight of 324.19 g/mol. Its IUPAC name is 2-[4-(5-bromo-2-fluorophenoxy)-2-methylphenyl]ethanamine.

Molecular Properties

Compound Name2-[4-(5-bromo-2-fluorophenoxy)-2-methylphenyl]ethanamine
PubChem CID114677126
Molecular FormulaC15H15BrFNO
Molecular Weight324.19 g/mol
Exact Mass323.03
IUPAC Name2-[4-(5-bromo-2-fluorophenoxy)-2-methylphenyl]ethanamine
SMILESCc1cc(Oc2cc(Br)ccc2F)ccc1CCN
InChIInChI=1S/C15H15BrFNO/c1-10-8-13(4-2-11(10)6-7-18)19-15-9-12(16)3-5-14(15)17/h2-5,8-9H,6-7,18H2,1H3
InChIKeySCEMWPATRVYWBW-UHFFFAOYSA-N
XLogP4.19
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.19
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[4-bromo-2-(3-chloro-4-fluorophenoxy)phenyl]ethanamine
CID 63880236
4-bromo-1-(bromomethyl)-2-(4-fluoro-3-methylphenoxy)benzene
CID 107088968
2-[4-(2-chloro-4-methylphenoxy)-2-methylphenyl]ethanamine
CID 63804026
2-[4-(4-chloro-3-fluorophenoxy)-2-methylphenyl]ethanamine
CID 82727632
4-bromo-1-(bromomethyl)-2-(3-fluoro-4-methylphenoxy)benzene
CID 107169735
2-[4-bromo-2-(3-bromo-5-fluorophenoxy)phenyl]ethanamine
CID 81325869
4-(5-bromo-2-fluorophenoxy)-2-methylbenzenecarboximidamide
CID 114673658
2-[4-bromo-2-(4-propan-2-ylphenoxy)phenyl]ethanamine
CID 63817335
5-bromo-1-[4-(bromomethyl)-3-methylphenoxy]-2,3-difluorobenzene
CID 107100289
2-[4-(3,5-dimethoxyphenoxy)-2-methylphenyl]ethanamine
CID 63815390
4-(4-bromo-2-fluorophenoxy)-2-methylaniline
CID 43436412
2-[4-bromo-2-(2,5-dimethylphenoxy)phenyl]ethanamine
CID 63802592

Frequently Asked Questions

What is the IUPAC name of 2-[4-(5-bromo-2-fluorophenoxy)-2-methylphenyl]ethanamine?
The IUPAC name of 2-[4-(5-bromo-2-fluorophenoxy)-2-methylphenyl]ethanamine (CID 114677126) is 2-[4-(5-bromo-2-fluorophenoxy)-2-methylphenyl]ethanamine.
What is the SMILES notation for 2-[4-(5-bromo-2-fluorophenoxy)-2-methylphenyl]ethanamine?
The canonical SMILES for 2-[4-(5-bromo-2-fluorophenoxy)-2-methylphenyl]ethanamine is Cc1cc(Oc2cc(Br)ccc2F)ccc1CCN.
What is the InChIKey of 2-[4-(5-bromo-2-fluorophenoxy)-2-methylphenyl]ethanamine?
The InChIKey is SCEMWPATRVYWBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrFNO/c1-10-8-13(4-2-11(10)6-7-18)19-15-9-12(16)3-5-14(15)17/h2-5,8-9H,6-7,18H2,1H3.
What are the key properties of 2-[4-(5-bromo-2-fluorophenoxy)-2-methylphenyl]ethanamine?
2-[4-(5-bromo-2-fluorophenoxy)-2-methylphenyl]ethanamine has a molecular weight of 324.19 g/mol, XLogP of 4.19, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(5-bromo-2-fluorophenoxy)-2-methylphenyl]ethanamine is sourced from PubChem (CID 114677126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).