1-(2-bromo-4-methoxyphenyl)-2-methylbutan-1-amine

C12H18BrNO — CID 60786291

IUPAC1-(2-bromo-4-methoxyphenyl)-2-methylbutan-1-amine
SMILESCCC(C)C(N)c1ccc(OC)cc1Br
InChIInChI=1S/C12H18BrNO/c1-4-8(2)12(14)10-6-5-9(15-3)7-11(10)13/h5-8,12H,4,14H2,1-3H3
InChIKeyGVLXXCMDXBTHST-UHFFFAOYSA-N
MW272.19 g/mol
LogP3.50
Rot. Bonds4

About 1-(2-bromo-4-methoxyphenyl)-2-methylbutan-1-amine

1-(2-bromo-4-methoxyphenyl)-2-methylbutan-1-amine (PubChem CID 60786291) has the molecular formula C12H18BrNO and a molecular weight of 272.19 g/mol. Its IUPAC name is 1-(2-bromo-4-methoxyphenyl)-2-methylbutan-1-amine.

Molecular Properties

Compound Name1-(2-bromo-4-methoxyphenyl)-2-methylbutan-1-amine
PubChem CID60786291
Molecular FormulaC12H18BrNO
Molecular Weight272.19 g/mol
Exact Mass271.06
IUPAC Name1-(2-bromo-4-methoxyphenyl)-2-methylbutan-1-amine
SMILESCCC(C)C(N)c1ccc(OC)cc1Br
InChIInChI=1S/C12H18BrNO/c1-4-8(2)12(14)10-6-5-9(15-3)7-11(10)13/h5-8,12H,4,14H2,1-3H3
InChIKeyGVLXXCMDXBTHST-UHFFFAOYSA-N
XLogP3.50
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.19
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,4-dibromophenyl)-2-methylbutan-1-amine
CID 107946440
(1S)-1-(2-fluoro-4-methoxyphenyl)-2-methylbutan-1-amine
CID 171219623
1-(2-bromo-4-methoxyphenyl)ethanamine;hydrochloride
CID 122360281
1-(2-bromo-4-methoxyphenyl)ethane-1,2-diamine
CID 126973068
2-amino-1-(2-bromo-4-methoxyphenyl)propan-1-ol
CID 82623845
1-(4-methoxy-2-methylphenyl)-2-methylpentan-1-amine
CID 43210161
(1R)-1-(4-methoxyphenyl)-2-methylbutan-1-amine
CID 171200898
(2-bromo-4-methoxyphenyl)-(2,4-dibromophenyl)methanamine
CID 107950477
1-(4-bromo-2-methylphenyl)-2-methylbutan-1-amine
CID 105017362
(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
3-[(1S)-1-amino-2-methylbutyl]-4-bromophenol
CID 131009992

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-4-methoxyphenyl)-2-methylbutan-1-amine?
The IUPAC name of 1-(2-bromo-4-methoxyphenyl)-2-methylbutan-1-amine (CID 60786291) is 1-(2-bromo-4-methoxyphenyl)-2-methylbutan-1-amine.
What is the SMILES notation for 1-(2-bromo-4-methoxyphenyl)-2-methylbutan-1-amine?
The canonical SMILES for 1-(2-bromo-4-methoxyphenyl)-2-methylbutan-1-amine is CCC(C)C(N)c1ccc(OC)cc1Br.
What is the InChIKey of 1-(2-bromo-4-methoxyphenyl)-2-methylbutan-1-amine?
The InChIKey is GVLXXCMDXBTHST-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18BrNO/c1-4-8(2)12(14)10-6-5-9(15-3)7-11(10)13/h5-8,12H,4,14H2,1-3H3.
What are the key properties of 1-(2-bromo-4-methoxyphenyl)-2-methylbutan-1-amine?
1-(2-bromo-4-methoxyphenyl)-2-methylbutan-1-amine has a molecular weight of 272.19 g/mol, XLogP of 3.50, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-4-methoxyphenyl)-2-methylbutan-1-amine is sourced from PubChem (CID 60786291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).