N-[2-(4-bromophenoxy)ethyl]-1-methoxypropan-2-amine

C12H18BrNO2 — CID 60688516

IUPACN-[2-(4-bromophenoxy)ethyl]-1-methoxypropan-2-amine
SMILESCOCC(C)NCCOc1ccc(Br)cc1
InChIInChI=1S/C12H18BrNO2/c1-10(9-15-2)14-7-8-16-12-5-3-11(13)4-6-12/h3-6,10,14H,7-9H2,1-2H3
InChIKeyQHLUOLXABIIBBS-UHFFFAOYSA-N
MW288.19 g/mol
LogP2.45
Rot. Bonds7

About N-[2-(4-bromophenoxy)ethyl]-1-methoxypropan-2-amine

N-[2-(4-bromophenoxy)ethyl]-1-methoxypropan-2-amine (PubChem CID 60688516) has the molecular formula C12H18BrNO2 and a molecular weight of 288.19 g/mol. Its IUPAC name is N-[2-(4-bromophenoxy)ethyl]-1-methoxypropan-2-amine.

Molecular Properties

Compound NameN-[2-(4-bromophenoxy)ethyl]-1-methoxypropan-2-amine
PubChem CID60688516
Molecular FormulaC12H18BrNO2
Molecular Weight288.19 g/mol
Exact Mass287.05
IUPAC NameN-[2-(4-bromophenoxy)ethyl]-1-methoxypropan-2-amine
SMILESCOCC(C)NCCOc1ccc(Br)cc1
InChIInChI=1S/C12H18BrNO2/c1-10(9-15-2)14-7-8-16-12-5-3-11(13)4-6-12/h3-6,10,14H,7-9H2,1-2H3
InChIKeyQHLUOLXABIIBBS-UHFFFAOYSA-N
XLogP2.45
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.19
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-(4-tert-butylphenoxy)ethyl]-1-methoxypropan-2-amine
CID 60688624
N-[2-(4-bromophenoxy)ethyl]-4,4,4-trifluorobutan-2-amine
CID 113348392
N-[2-(2,4-dibromophenoxy)ethyl]-1-methoxypropan-2-amine
CID 55093203
N-[2-(4-bromophenoxy)ethyl]heptan-2-amine
CID 60687991
N-[2-[(4-bromophenyl)methoxy]ethyl]-1-methoxypropan-2-amine
CID 82825096
N-[2-(4-bromo-2-methylphenoxy)ethyl]-1-methoxypropan-2-amine
CID 55162498
N-[2-(4-bromophenoxy)ethyl]-3,3-dimethylbutan-2-amine
CID 113236178
(1R)-N-[2-(4-bromophenoxy)ethyl]-1-(2-methoxyphenyl)ethanamine
CID 81390396
N-[2-(6-bromonaphthalen-2-yl)oxyethyl]butan-2-amine
CID 55195327
2-(4-bromophenoxy)-N-[(2R)-1-methoxypropan-2-yl]acetamide
CID 7028135
N-[3-(4-bromophenoxy)propyl]-2-methylpropan-1-amine
CID 62455102
2-[2-(4-bromophenoxy)ethyl]-1-(1-methoxypropan-2-yl)guanidine
CID 111089027

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-bromophenoxy)ethyl]-1-methoxypropan-2-amine?
The IUPAC name of N-[2-(4-bromophenoxy)ethyl]-1-methoxypropan-2-amine (CID 60688516) is N-[2-(4-bromophenoxy)ethyl]-1-methoxypropan-2-amine.
What is the SMILES notation for N-[2-(4-bromophenoxy)ethyl]-1-methoxypropan-2-amine?
The canonical SMILES for N-[2-(4-bromophenoxy)ethyl]-1-methoxypropan-2-amine is COCC(C)NCCOc1ccc(Br)cc1.
What is the InChIKey of N-[2-(4-bromophenoxy)ethyl]-1-methoxypropan-2-amine?
The InChIKey is QHLUOLXABIIBBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18BrNO2/c1-10(9-15-2)14-7-8-16-12-5-3-11(13)4-6-12/h3-6,10,14H,7-9H2,1-2H3.
What are the key properties of N-[2-(4-bromophenoxy)ethyl]-1-methoxypropan-2-amine?
N-[2-(4-bromophenoxy)ethyl]-1-methoxypropan-2-amine has a molecular weight of 288.19 g/mol, XLogP of 2.45, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-bromophenoxy)ethyl]-1-methoxypropan-2-amine is sourced from PubChem (CID 60688516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).