2-(2-bromo-4-chlorophenoxy)-N-ethylpropan-1-amine

C11H15BrClNO — CID 62459615

IUPAC2-(2-bromo-4-chlorophenoxy)-N-ethylpropan-1-amine
SMILESCCNCC(C)Oc1ccc(Cl)cc1Br
InChIInChI=1S/C11H15BrClNO/c1-3-14-7-8(2)15-11-5-4-9(13)6-10(11)12/h4-6,8,14H,3,7H2,1-2H3
InChIKeyYSLSCYKIGNICSB-UHFFFAOYSA-N
MW292.60 g/mol
LogP3.48
Rot. Bonds5

About 2-(2-bromo-4-chlorophenoxy)-N-ethylpropan-1-amine

2-(2-bromo-4-chlorophenoxy)-N-ethylpropan-1-amine (PubChem CID 62459615) has the molecular formula C11H15BrClNO and a molecular weight of 292.60 g/mol. Its IUPAC name is 2-(2-bromo-4-chlorophenoxy)-N-ethylpropan-1-amine.

Molecular Properties

Compound Name2-(2-bromo-4-chlorophenoxy)-N-ethylpropan-1-amine
PubChem CID62459615
Molecular FormulaC11H15BrClNO
Molecular Weight292.60 g/mol
Exact Mass291.00
IUPAC Name2-(2-bromo-4-chlorophenoxy)-N-ethylpropan-1-amine
SMILESCCNCC(C)Oc1ccc(Cl)cc1Br
InChIInChI=1S/C11H15BrClNO/c1-3-14-7-8(2)15-11-5-4-9(13)6-10(11)12/h4-6,8,14H,3,7H2,1-2H3
InChIKeyYSLSCYKIGNICSB-UHFFFAOYSA-N
XLogP3.48
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.60
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-bromo-4-chlorophenoxy)-N-prop-2-ynylpropan-1-amine
CID 62572486
2-(2-bromo-4-chlorophenoxy)-N-ethylbutan-1-amine
CID 62459460
2-(4-bromo-2-fluorophenoxy)-N-ethylpropan-1-amine
CID 62486029
(3R)-3-(2-bromo-4-chlorophenoxy)butanoic acid
CID 103547713
N-ethyl-2-(2,4,6-trichlorophenoxy)propan-1-amine
CID 175035603
N-[2-(2,4-dibromophenoxy)propyl]-2-methylpropan-1-amine
CID 63516536
N-[[4-(2-bromo-4-chlorophenoxy)phenyl]methyl]ethanamine
CID 43283476
4-(2-bromo-4-chlorophenoxy)pentanehydrazide
CID 63575506
2-(3,4-difluorophenoxy)-N-ethylpropan-1-amine
CID 62485370
2-(1-bromonaphthalen-2-yl)oxy-N-ethylpropan-1-amine
CID 55077307
2-(2-bromo-4-methylphenoxy)-N-ethyl-3-methylbutan-1-amine
CID 62460334
methyl 2-(2-bromo-4-chlorophenoxy)propanoate
CID 20526233

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-4-chlorophenoxy)-N-ethylpropan-1-amine?
The IUPAC name of 2-(2-bromo-4-chlorophenoxy)-N-ethylpropan-1-amine (CID 62459615) is 2-(2-bromo-4-chlorophenoxy)-N-ethylpropan-1-amine.
What is the SMILES notation for 2-(2-bromo-4-chlorophenoxy)-N-ethylpropan-1-amine?
The canonical SMILES for 2-(2-bromo-4-chlorophenoxy)-N-ethylpropan-1-amine is CCNCC(C)Oc1ccc(Cl)cc1Br.
What is the InChIKey of 2-(2-bromo-4-chlorophenoxy)-N-ethylpropan-1-amine?
The InChIKey is YSLSCYKIGNICSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrClNO/c1-3-14-7-8(2)15-11-5-4-9(13)6-10(11)12/h4-6,8,14H,3,7H2,1-2H3.
What are the key properties of 2-(2-bromo-4-chlorophenoxy)-N-ethylpropan-1-amine?
2-(2-bromo-4-chlorophenoxy)-N-ethylpropan-1-amine has a molecular weight of 292.60 g/mol, XLogP of 3.48, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-4-chlorophenoxy)-N-ethylpropan-1-amine is sourced from PubChem (CID 62459615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).