2-[4-[(1R)-1-aminoethyl]-2-bromophenoxy]benzamide

C15H15BrN2O2 — CID 78937730

IUPAC2-[4-[(1R)-1-aminoethyl]-2-bromophenoxy]benzamide
SMILESC[C@@H](N)c1ccc(Oc2ccccc2C(N)=O)c(Br)c1
InChIInChI=1S/C15H15BrN2O2/c1-9(17)10-6-7-14(12(16)8-10)20-13-5-3-2-4-11(13)15(18)19/h2-9H,17H2,1H3,(H2,18,19)/t9-/m1/s1
InChIKeyRVLOAYAPCRQULY-SECBINFHSA-N
MW335.20 g/mol
LogP3.36
Rot. Bonds4

About 2-[4-[(1R)-1-aminoethyl]-2-bromophenoxy]benzamide

2-[4-[(1R)-1-aminoethyl]-2-bromophenoxy]benzamide (PubChem CID 78937730) has the molecular formula C15H15BrN2O2 and a molecular weight of 335.20 g/mol. Its IUPAC name is 2-[4-[(1R)-1-aminoethyl]-2-bromophenoxy]benzamide.

Molecular Properties

Compound Name2-[4-[(1R)-1-aminoethyl]-2-bromophenoxy]benzamide
PubChem CID78937730
Molecular FormulaC15H15BrN2O2
Molecular Weight335.20 g/mol
Exact Mass334.03
IUPAC Name2-[4-[(1R)-1-aminoethyl]-2-bromophenoxy]benzamide
SMILESC[C@@H](N)c1ccc(Oc2ccccc2C(N)=O)c(Br)c1
InChIInChI=1S/C15H15BrN2O2/c1-9(17)10-6-7-14(12(16)8-10)20-13-5-3-2-4-11(13)15(18)19/h2-9H,17H2,1H3,(H2,18,19)/t9-/m1/s1
InChIKeyRVLOAYAPCRQULY-SECBINFHSA-N
XLogP3.36
TPSA78.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.20
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[4-(1-aminoethyl)-2-bromophenoxy]phenyl]acetamide
CID 62913100
1-[3-bromo-4-(2-propan-2-ylphenoxy)phenyl]ethanamine
CID 63533635
1-[3-bromo-4-(2-tert-butylphenoxy)phenyl]ethanamine
CID 63533904
2-[2-[4-(1-aminoethyl)-2-bromophenoxy]phenyl]ethanol
CID 107712752
2-(4-bromo-2-propan-2-ylphenoxy)benzamide
CID 115402255
(1R)-1-[3-bromo-4-(2,4,5-trichlorophenoxy)phenyl]ethanamine
CID 78944496
(1S)-1-[3-bromo-4-(2-bromo-4-methoxyphenoxy)phenyl]ethanamine
CID 104707913
(1R)-1-[3-bromo-4-(5-fluoro-2-methylphenoxy)phenyl]ethanamine
CID 102982249
(1R)-1-(3-bromo-4-methoxyphenyl)ethanamine
CID 7047696
1-[3-bromo-4-(3-methoxyphenoxy)phenyl]ethanamine
CID 62911214
(1R)-1-[3-bromo-4-(2-chloro-4-methylphenoxy)phenyl]ethanamine
CID 78944434
(1R)-1-[3-bromo-4-(3-methoxyphenoxy)phenyl]ethanamine
CID 78937846

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(1R)-1-aminoethyl]-2-bromophenoxy]benzamide?
The IUPAC name of 2-[4-[(1R)-1-aminoethyl]-2-bromophenoxy]benzamide (CID 78937730) is 2-[4-[(1R)-1-aminoethyl]-2-bromophenoxy]benzamide.
What is the SMILES notation for 2-[4-[(1R)-1-aminoethyl]-2-bromophenoxy]benzamide?
The canonical SMILES for 2-[4-[(1R)-1-aminoethyl]-2-bromophenoxy]benzamide is C[C@@H](N)c1ccc(Oc2ccccc2C(N)=O)c(Br)c1.
What is the InChIKey of 2-[4-[(1R)-1-aminoethyl]-2-bromophenoxy]benzamide?
The InChIKey is RVLOAYAPCRQULY-SECBINFHSA-N. The full InChI is InChI=1S/C15H15BrN2O2/c1-9(17)10-6-7-14(12(16)8-10)20-13-5-3-2-4-11(13)15(18)19/h2-9H,17H2,1H3,(H2,18,19)/t9-/m1/s1.
What are the key properties of 2-[4-[(1R)-1-aminoethyl]-2-bromophenoxy]benzamide?
2-[4-[(1R)-1-aminoethyl]-2-bromophenoxy]benzamide has a molecular weight of 335.20 g/mol, XLogP of 3.36, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(1R)-1-aminoethyl]-2-bromophenoxy]benzamide is sourced from PubChem (CID 78937730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).