1-[4-bromo-2-(2-methylphenoxy)phenyl]ethanamine

C15H16BrNO — CID 82976080

IUPAC1-[4-bromo-2-(2-methylphenoxy)phenyl]ethanamine
SMILESCc1ccccc1Oc1cc(Br)ccc1C(C)N
InChIInChI=1S/C15H16BrNO/c1-10-5-3-4-6-14(10)18-15-9-12(16)7-8-13(15)11(2)17/h3-9,11H,17H2,1-2H3
InChIKeyDFUZXINOZAFLBU-UHFFFAOYSA-N
MW306.20 g/mol
LogP4.57
Rot. Bonds3

About 1-[4-bromo-2-(2-methylphenoxy)phenyl]ethanamine

1-[4-bromo-2-(2-methylphenoxy)phenyl]ethanamine (PubChem CID 82976080) has the molecular formula C15H16BrNO and a molecular weight of 306.20 g/mol. Its IUPAC name is 1-[4-bromo-2-(2-methylphenoxy)phenyl]ethanamine.

Molecular Properties

Compound Name1-[4-bromo-2-(2-methylphenoxy)phenyl]ethanamine
PubChem CID82976080
Molecular FormulaC15H16BrNO
Molecular Weight306.20 g/mol
Exact Mass305.04
IUPAC Name1-[4-bromo-2-(2-methylphenoxy)phenyl]ethanamine
SMILESCc1ccccc1Oc1cc(Br)ccc1C(C)N
InChIInChI=1S/C15H16BrNO/c1-10-5-3-4-6-14(10)18-15-9-12(16)7-8-13(15)11(2)17/h3-9,11H,17H2,1-2H3
InChIKeyDFUZXINOZAFLBU-UHFFFAOYSA-N
XLogP4.57
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.20
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-bromo-2-(2-chlorophenoxy)phenyl]ethanamine
CID 82976219
1-[4-bromo-2-(2-methylsulfanylphenoxy)phenyl]ethanamine
CID 82975446
1-[4-bromo-2-(2-methylphenoxy)phenyl]propan-2-amine
CID 63801754
1-[4-bromo-2-(5-bromo-2,3-difluorophenoxy)phenyl]ethanamine
CID 107099987
1-[5-bromo-2-(2-propan-2-ylphenoxy)phenyl]ethanamine
CID 82976372
(1R)-1-(4-bromo-2-pentan-3-yloxyphenyl)ethanamine
CID 102946639
2-(1-aminoethyl)-5-bromo-N-methyl-N-(2-methylphenyl)aniline
CID 82968647
1-[4-bromo-2-(5-bromo-2-methylphenoxy)phenyl]-N-methylethanamine
CID 107284810
1-[4-bromo-2-(2-bromophenoxy)phenyl]ethanol
CID 82971318
1-[4-bromo-2-[(2-fluorophenyl)methoxy]phenyl]ethanamine
CID 82975522
(1R)-1-[4-bromo-2-[(2-bromophenyl)methoxy]phenyl]ethanamine
CID 102946671
(1R)-1-[4-bromo-2-(3-phenoxypropoxy)phenyl]ethanamine
CID 102946886

Frequently Asked Questions

What is the IUPAC name of 1-[4-bromo-2-(2-methylphenoxy)phenyl]ethanamine?
The IUPAC name of 1-[4-bromo-2-(2-methylphenoxy)phenyl]ethanamine (CID 82976080) is 1-[4-bromo-2-(2-methylphenoxy)phenyl]ethanamine.
What is the SMILES notation for 1-[4-bromo-2-(2-methylphenoxy)phenyl]ethanamine?
The canonical SMILES for 1-[4-bromo-2-(2-methylphenoxy)phenyl]ethanamine is Cc1ccccc1Oc1cc(Br)ccc1C(C)N.
What is the InChIKey of 1-[4-bromo-2-(2-methylphenoxy)phenyl]ethanamine?
The InChIKey is DFUZXINOZAFLBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrNO/c1-10-5-3-4-6-14(10)18-15-9-12(16)7-8-13(15)11(2)17/h3-9,11H,17H2,1-2H3.
What are the key properties of 1-[4-bromo-2-(2-methylphenoxy)phenyl]ethanamine?
1-[4-bromo-2-(2-methylphenoxy)phenyl]ethanamine has a molecular weight of 306.20 g/mol, XLogP of 4.57, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-bromo-2-(2-methylphenoxy)phenyl]ethanamine is sourced from PubChem (CID 82976080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).