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

C12H17BrClNO — CID 62459460

IUPAC2-(2-bromo-4-chlorophenoxy)-N-ethylbutan-1-amine
SMILESCCNCC(CC)Oc1ccc(Cl)cc1Br
InChIInChI=1S/C12H17BrClNO/c1-3-10(8-15-4-2)16-12-6-5-9(14)7-11(12)13/h5-7,10,15H,3-4,8H2,1-2H3
InChIKeyISQWVMGJFKLQOU-UHFFFAOYSA-N
MW306.63 g/mol
LogP3.87
Rot. Bonds6

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

2-(2-bromo-4-chlorophenoxy)-N-ethylbutan-1-amine (PubChem CID 62459460) has the molecular formula C12H17BrClNO and a molecular weight of 306.63 g/mol. Its IUPAC name is 2-(2-bromo-4-chlorophenoxy)-N-ethylbutan-1-amine.

Molecular Properties

Compound Name2-(2-bromo-4-chlorophenoxy)-N-ethylbutan-1-amine
PubChem CID62459460
Molecular FormulaC12H17BrClNO
Molecular Weight306.63 g/mol
Exact Mass305.02
IUPAC Name2-(2-bromo-4-chlorophenoxy)-N-ethylbutan-1-amine
SMILESCCNCC(CC)Oc1ccc(Cl)cc1Br
InChIInChI=1S/C12H17BrClNO/c1-3-10(8-15-4-2)16-12-6-5-9(14)7-11(12)13/h5-7,10,15H,3-4,8H2,1-2H3
InChIKeyISQWVMGJFKLQOU-UHFFFAOYSA-N
XLogP3.87
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.63
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-bromo-4-chlorophenoxy)-N-ethylpropan-1-amine
CID 62459615
2-(4-chloro-2-methylphenoxy)-N-(2-methylpropyl)butan-1-amine
CID 63498764
2-(5-bromo-2-methylphenoxy)-N-ethylbutan-1-amine
CID 107286034
2-(2-bromo-4-methoxyphenoxy)-N-(2-methylpropyl)butan-1-amine
CID 104708465
2-(3,5-dichlorophenoxy)-N-ethylbutan-1-amine
CID 62485923
2-(2-bromo-4-chlorophenoxy)-N-prop-2-ynylpropan-1-amine
CID 62572486
2-(3,4-difluorophenoxy)-N-ethylbutan-1-amine
CID 62485732
N-tert-butyl-2-(2,4-dichlorophenoxy)butan-1-amine
CID 63497352
2-(2-bromo-4-chlorophenoxy)butanehydrazide
CID 54792634
2-(2-bromo-4-chlorophenoxy)-1-phenylbutan-1-one
CID 63566899
N-[[4-(2-bromo-4-chlorophenoxy)phenyl]methyl]ethanamine
CID 43283476
2-(4-bromo-2,5-dichlorophenoxy)-N-ethyl-3-methoxypropan-1-amine
CID 107661071

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-4-chlorophenoxy)-N-ethylbutan-1-amine?
The IUPAC name of 2-(2-bromo-4-chlorophenoxy)-N-ethylbutan-1-amine (CID 62459460) is 2-(2-bromo-4-chlorophenoxy)-N-ethylbutan-1-amine.
What is the SMILES notation for 2-(2-bromo-4-chlorophenoxy)-N-ethylbutan-1-amine?
The canonical SMILES for 2-(2-bromo-4-chlorophenoxy)-N-ethylbutan-1-amine is CCNCC(CC)Oc1ccc(Cl)cc1Br.
What is the InChIKey of 2-(2-bromo-4-chlorophenoxy)-N-ethylbutan-1-amine?
The InChIKey is ISQWVMGJFKLQOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrClNO/c1-3-10(8-15-4-2)16-12-6-5-9(14)7-11(12)13/h5-7,10,15H,3-4,8H2,1-2H3.
What are the key properties of 2-(2-bromo-4-chlorophenoxy)-N-ethylbutan-1-amine?
2-(2-bromo-4-chlorophenoxy)-N-ethylbutan-1-amine has a molecular weight of 306.63 g/mol, XLogP of 3.87, 6 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-ethylbutan-1-amine is sourced from PubChem (CID 62459460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).