2-(5-bromo-2-methylphenoxy)-N-ethylbutan-1-amine

C13H20BrNO — CID 107286034

IUPAC2-(5-bromo-2-methylphenoxy)-N-ethylbutan-1-amine
SMILESCCNCC(CC)Oc1cc(Br)ccc1C
InChIInChI=1S/C13H20BrNO/c1-4-12(9-15-5-2)16-13-8-11(14)7-6-10(13)3/h6-8,12,15H,4-5,9H2,1-3H3
InChIKeyXINSTUWEORKOTP-UHFFFAOYSA-N
MW286.21 g/mol
LogP3.52
Rot. Bonds6

About 2-(5-bromo-2-methylphenoxy)-N-ethylbutan-1-amine

2-(5-bromo-2-methylphenoxy)-N-ethylbutan-1-amine (PubChem CID 107286034) has the molecular formula C13H20BrNO and a molecular weight of 286.21 g/mol. Its IUPAC name is 2-(5-bromo-2-methylphenoxy)-N-ethylbutan-1-amine.

Molecular Properties

Compound Name2-(5-bromo-2-methylphenoxy)-N-ethylbutan-1-amine
PubChem CID107286034
Molecular FormulaC13H20BrNO
Molecular Weight286.21 g/mol
Exact Mass285.07
IUPAC Name2-(5-bromo-2-methylphenoxy)-N-ethylbutan-1-amine
SMILESCCNCC(CC)Oc1cc(Br)ccc1C
InChIInChI=1S/C13H20BrNO/c1-4-12(9-15-5-2)16-13-8-11(14)7-6-10(13)3/h6-8,12,15H,4-5,9H2,1-3H3
InChIKeyXINSTUWEORKOTP-UHFFFAOYSA-N
XLogP3.52
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.21
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(5-bromo-2-methylphenoxy)-N-propan-2-ylbutan-1-amine
CID 107286035
2-(5-bromo-2-methylphenoxy)-N-tert-butylbutan-1-amine
CID 107285816
4-bromo-2-butan-2-yloxy-1-methylbenzene
CID 103693573
2-(2-bromo-4-chlorophenoxy)-N-ethylbutan-1-amine
CID 62459460
2-(5-bromo-2-methylphenoxy)pentan-1-amine
CID 107286173
2-(5-bromo-2-methylphenoxy)-3-methyl-N-propylbutan-1-amine
CID 107286248
N-[2-(5-bromo-2-methylphenoxy)pentyl]cyclopropanamine
CID 107285996
N-[2-(4-bromo-2-methylphenoxy)butyl]cyclopropanamine
CID 63216643
4-bromo-2-(difluoromethoxy)-1-methylbenzene
CID 45158712
2-(3,5-dimethylphenoxy)-N-ethylbutan-1-amine
CID 62454791
2-(4-bromophenoxy)-N-propylbutan-1-amine
CID 62454410
N-ethyl-2-(3-methylphenoxy)butan-1-amine
CID 54798641

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-2-methylphenoxy)-N-ethylbutan-1-amine?
The IUPAC name of 2-(5-bromo-2-methylphenoxy)-N-ethylbutan-1-amine (CID 107286034) is 2-(5-bromo-2-methylphenoxy)-N-ethylbutan-1-amine.
What is the SMILES notation for 2-(5-bromo-2-methylphenoxy)-N-ethylbutan-1-amine?
The canonical SMILES for 2-(5-bromo-2-methylphenoxy)-N-ethylbutan-1-amine is CCNCC(CC)Oc1cc(Br)ccc1C.
What is the InChIKey of 2-(5-bromo-2-methylphenoxy)-N-ethylbutan-1-amine?
The InChIKey is XINSTUWEORKOTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20BrNO/c1-4-12(9-15-5-2)16-13-8-11(14)7-6-10(13)3/h6-8,12,15H,4-5,9H2,1-3H3.
What are the key properties of 2-(5-bromo-2-methylphenoxy)-N-ethylbutan-1-amine?
2-(5-bromo-2-methylphenoxy)-N-ethylbutan-1-amine has a molecular weight of 286.21 g/mol, XLogP of 3.52, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-2-methylphenoxy)-N-ethylbutan-1-amine is sourced from PubChem (CID 107286034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).