1-(5-bromo-2-methoxyphenyl)-2-ethylbutan-1-amine

C13H20BrNO — CID 43149088

IUPAC1-(5-bromo-2-methoxyphenyl)-2-ethylbutan-1-amine
SMILESCCC(CC)C(N)c1cc(Br)ccc1OC
InChIInChI=1S/C13H20BrNO/c1-4-9(5-2)13(15)11-8-10(14)6-7-12(11)16-3/h6-9,13H,4-5,15H2,1-3H3
InChIKeyLHKIJPFBZUMGHL-UHFFFAOYSA-N
MW286.21 g/mol
LogP3.89
Rot. Bonds5

About 1-(5-bromo-2-methoxyphenyl)-2-ethylbutan-1-amine

1-(5-bromo-2-methoxyphenyl)-2-ethylbutan-1-amine (PubChem CID 43149088) has the molecular formula C13H20BrNO and a molecular weight of 286.21 g/mol. Its IUPAC name is 1-(5-bromo-2-methoxyphenyl)-2-ethylbutan-1-amine.

Molecular Properties

Compound Name1-(5-bromo-2-methoxyphenyl)-2-ethylbutan-1-amine
PubChem CID43149088
Molecular FormulaC13H20BrNO
Molecular Weight286.21 g/mol
Exact Mass285.07
IUPAC Name1-(5-bromo-2-methoxyphenyl)-2-ethylbutan-1-amine
SMILESCCC(CC)C(N)c1cc(Br)ccc1OC
InChIInChI=1S/C13H20BrNO/c1-4-9(5-2)13(15)11-8-10(14)6-7-12(11)16-3/h6-9,13H,4-5,15H2,1-3H3
InChIKeyLHKIJPFBZUMGHL-UHFFFAOYSA-N
XLogP3.89
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.21
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1S)-1-(5-bromo-2-methoxyphenyl)-2-methylbutan-1-amine;hydrochloride
CID 171221153
(1R)-1-(5-bromo-2-methoxyphenyl)-2-methylbutan-1-amine;hydrochloride
CID 171201616
bromo-(5-bromo-2-methoxyphenyl)methanamine
CID 116947587
1-(5-bromo-2-methoxyphenyl)-2-methylbutane-1,4-diamine
CID 116934007
ethyl (3R)-3-amino-3-(5-bromo-2-methoxyphenyl)-2-fluoropropanoate
CID 171240179
(5-bromo-2-methoxyphenyl)-methoxymethanamine
CID 116947257
(1S)-1-(5-bromo-2-methoxyphenyl)-2-fluoroethanamine;hydrochloride
CID 171201580
(2R)-2-amino-2-(5-bromo-2-methoxyphenyl)ethanol
CID 66515416
(1S)-1-(5-bromo-2-methoxyphenyl)-3,3-difluoropropan-1-amine;hydrochloride
CID 171312925
1-(5-bromo-2-methoxyphenyl)-2-methylbutan-1-ol
CID 61101002
(1R)-1-(5-bromo-2-methoxyphenyl)but-3-en-1-amine
CID 171201592
(1S)-1-(5-bromo-2-methoxyphenyl)but-3-en-1-amine
CID 171221129

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2-methoxyphenyl)-2-ethylbutan-1-amine?
The IUPAC name of 1-(5-bromo-2-methoxyphenyl)-2-ethylbutan-1-amine (CID 43149088) is 1-(5-bromo-2-methoxyphenyl)-2-ethylbutan-1-amine.
What is the SMILES notation for 1-(5-bromo-2-methoxyphenyl)-2-ethylbutan-1-amine?
The canonical SMILES for 1-(5-bromo-2-methoxyphenyl)-2-ethylbutan-1-amine is CCC(CC)C(N)c1cc(Br)ccc1OC.
What is the InChIKey of 1-(5-bromo-2-methoxyphenyl)-2-ethylbutan-1-amine?
The InChIKey is LHKIJPFBZUMGHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20BrNO/c1-4-9(5-2)13(15)11-8-10(14)6-7-12(11)16-3/h6-9,13H,4-5,15H2,1-3H3.
What are the key properties of 1-(5-bromo-2-methoxyphenyl)-2-ethylbutan-1-amine?
1-(5-bromo-2-methoxyphenyl)-2-ethylbutan-1-amine has a molecular weight of 286.21 g/mol, XLogP of 3.89, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-2-methoxyphenyl)-2-ethylbutan-1-amine is sourced from PubChem (CID 43149088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).