N-[2-[4-(1-aminoethyl)-2-bromophenoxy]phenyl]acetamide

C16H17BrN2O2 — CID 62913100

IUPACN-[2-[4-(1-aminoethyl)-2-bromophenoxy]phenyl]acetamide
SMILESCC(=O)Nc1ccccc1Oc1ccc(C(C)N)cc1Br
InChIInChI=1S/C16H17BrN2O2/c1-10(18)12-7-8-15(13(17)9-12)21-16-6-4-3-5-14(16)19-11(2)20/h3-10H,18H2,1-2H3,(H,19,20)
InChIKeyONUCUAQKEQNVLL-UHFFFAOYSA-N
MW349.23 g/mol
LogP4.22
Rot. Bonds4

About N-[2-[4-(1-aminoethyl)-2-bromophenoxy]phenyl]acetamide

N-[2-[4-(1-aminoethyl)-2-bromophenoxy]phenyl]acetamide (PubChem CID 62913100) has the molecular formula C16H17BrN2O2 and a molecular weight of 349.23 g/mol. Its IUPAC name is N-[2-[4-(1-aminoethyl)-2-bromophenoxy]phenyl]acetamide.

Molecular Properties

Compound NameN-[2-[4-(1-aminoethyl)-2-bromophenoxy]phenyl]acetamide
PubChem CID62913100
Molecular FormulaC16H17BrN2O2
Molecular Weight349.23 g/mol
Exact Mass348.05
IUPAC NameN-[2-[4-(1-aminoethyl)-2-bromophenoxy]phenyl]acetamide
SMILESCC(=O)Nc1ccccc1Oc1ccc(C(C)N)cc1Br
InChIInChI=1S/C16H17BrN2O2/c1-10(18)12-7-8-15(13(17)9-12)21-16-6-4-3-5-14(16)19-11(2)20/h3-10H,18H2,1-2H3,(H,19,20)
InChIKeyONUCUAQKEQNVLL-UHFFFAOYSA-N
XLogP4.22
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.23
LogP ≤ 54.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-[(1R)-1-aminoethyl]-2-bromophenoxy]benzamide
CID 78937730
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
N-[2-[2-fluoro-4-[(1S)-1-hydroxyethyl]phenoxy]phenyl]acetamide
CID 78938578
(1S)-1-[3-bromo-4-(2-bromo-4-methoxyphenoxy)phenyl]ethanamine
CID 104707913
(1R)-1-[3-bromo-4-(2,4,5-trichlorophenoxy)phenyl]ethanamine
CID 78944496
(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
[4-[4-[(1R)-1-aminoethyl]-2-bromophenoxy]phenyl]methanol
CID 78938273

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(1-aminoethyl)-2-bromophenoxy]phenyl]acetamide?
The IUPAC name of N-[2-[4-(1-aminoethyl)-2-bromophenoxy]phenyl]acetamide (CID 62913100) is N-[2-[4-(1-aminoethyl)-2-bromophenoxy]phenyl]acetamide.
What is the SMILES notation for N-[2-[4-(1-aminoethyl)-2-bromophenoxy]phenyl]acetamide?
The canonical SMILES for N-[2-[4-(1-aminoethyl)-2-bromophenoxy]phenyl]acetamide is CC(=O)Nc1ccccc1Oc1ccc(C(C)N)cc1Br.
What is the InChIKey of N-[2-[4-(1-aminoethyl)-2-bromophenoxy]phenyl]acetamide?
The InChIKey is ONUCUAQKEQNVLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrN2O2/c1-10(18)12-7-8-15(13(17)9-12)21-16-6-4-3-5-14(16)19-11(2)20/h3-10H,18H2,1-2H3,(H,19,20).
What are the key properties of N-[2-[4-(1-aminoethyl)-2-bromophenoxy]phenyl]acetamide?
N-[2-[4-(1-aminoethyl)-2-bromophenoxy]phenyl]acetamide has a molecular weight of 349.23 g/mol, XLogP of 4.22, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(1-aminoethyl)-2-bromophenoxy]phenyl]acetamide is sourced from PubChem (CID 62913100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).