2-[2-(2-aminopropyl)-6-bromophenoxy]acetonitrile

C11H13BrN2O — CID 61392513

IUPAC2-[2-(2-aminopropyl)-6-bromophenoxy]acetonitrile
SMILESCC(N)Cc1cccc(Br)c1OCC#N
InChIInChI=1S/C11H13BrN2O/c1-8(14)7-9-3-2-4-10(12)11(9)15-6-5-13/h2-4,8H,6-7,14H2,1H3
InChIKeyBSOMQFXGCIYWPF-UHFFFAOYSA-N
MW269.14 g/mol
LogP2.24
Rot. Bonds4

About 2-[2-(2-aminopropyl)-6-bromophenoxy]acetonitrile

2-[2-(2-aminopropyl)-6-bromophenoxy]acetonitrile (PubChem CID 61392513) has the molecular formula C11H13BrN2O and a molecular weight of 269.14 g/mol. Its IUPAC name is 2-[2-(2-aminopropyl)-6-bromophenoxy]acetonitrile.

Molecular Properties

Compound Name2-[2-(2-aminopropyl)-6-bromophenoxy]acetonitrile
PubChem CID61392513
Molecular FormulaC11H13BrN2O
Molecular Weight269.14 g/mol
Exact Mass268.02
IUPAC Name2-[2-(2-aminopropyl)-6-bromophenoxy]acetonitrile
SMILESCC(N)Cc1cccc(Br)c1OCC#N
InChIInChI=1S/C11H13BrN2O/c1-8(14)7-9-3-2-4-10(12)11(9)15-6-5-13/h2-4,8H,6-7,14H2,1H3
InChIKeyBSOMQFXGCIYWPF-UHFFFAOYSA-N
XLogP2.24
TPSA59.04 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.14
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(2-aminopropyl)-6-fluorophenoxy]acetonitrile
CID 112615861
2-[2-bromo-6-(bromomethyl)phenoxy]acetonitrile
CID 61392074
2-[2-(2-aminopropyl)phenoxy]acetonitrile
CID 60907829
1-(3-bromo-2-octoxyphenyl)propan-2-amine
CID 63421974
1-[3-bromo-2-(2-butoxyethoxy)phenyl]propan-2-amine
CID 61483612
1-[3-bromo-2-[2-(trifluoromethylsulfanyl)ethoxy]phenyl]propan-2-amine
CID 116617144
2-[2-(2-aminopropyl)-6-bromophenoxy]-N,N-dimethylacetamide
CID 61392479
1-[3-bromo-2-[(5-ethylthiophen-2-yl)methoxy]phenyl]propan-2-amine
CID 61392036
1-[3-bromo-2-[(3-methyl-2-pyridinyl)methoxy]phenyl]propan-2-amine
CID 115982350
1-(3-bromo-2-cyclopentyloxyphenyl)propan-2-amine
CID 61391929
1-[3-bromo-2-(oxolan-3-ylmethoxy)phenyl]propan-2-amine
CID 54977250
2-[2-(2-aminobutyl)-6-chlorophenoxy]acetonitrile
CID 112615753

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-aminopropyl)-6-bromophenoxy]acetonitrile?
The IUPAC name of 2-[2-(2-aminopropyl)-6-bromophenoxy]acetonitrile (CID 61392513) is 2-[2-(2-aminopropyl)-6-bromophenoxy]acetonitrile.
What is the SMILES notation for 2-[2-(2-aminopropyl)-6-bromophenoxy]acetonitrile?
The canonical SMILES for 2-[2-(2-aminopropyl)-6-bromophenoxy]acetonitrile is CC(N)Cc1cccc(Br)c1OCC#N.
What is the InChIKey of 2-[2-(2-aminopropyl)-6-bromophenoxy]acetonitrile?
The InChIKey is BSOMQFXGCIYWPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrN2O/c1-8(14)7-9-3-2-4-10(12)11(9)15-6-5-13/h2-4,8H,6-7,14H2,1H3.
What are the key properties of 2-[2-(2-aminopropyl)-6-bromophenoxy]acetonitrile?
2-[2-(2-aminopropyl)-6-bromophenoxy]acetonitrile has a molecular weight of 269.14 g/mol, XLogP of 2.24, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-aminopropyl)-6-bromophenoxy]acetonitrile is sourced from PubChem (CID 61392513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).