2-[(5-bromo-2-methoxyphenyl)methyl]-2-methylbutan-1-amine

C13H20BrNO — CID 62725313

IUPAC2-[(5-bromo-2-methoxyphenyl)methyl]-2-methylbutan-1-amine
SMILESCCC(C)(CN)Cc1cc(Br)ccc1OC
InChIInChI=1S/C13H20BrNO/c1-4-13(2,9-15)8-10-7-11(14)5-6-12(10)16-3/h5-7H,4,8-9,15H2,1-3H3
InChIKeyJYXHDEDHVWJQPN-UHFFFAOYSA-N
MW286.21 g/mol
LogP3.38
Rot. Bonds5

About 2-[(5-bromo-2-methoxyphenyl)methyl]-2-methylbutan-1-amine

2-[(5-bromo-2-methoxyphenyl)methyl]-2-methylbutan-1-amine (PubChem CID 62725313) has the molecular formula C13H20BrNO and a molecular weight of 286.21 g/mol. Its IUPAC name is 2-[(5-bromo-2-methoxyphenyl)methyl]-2-methylbutan-1-amine.

Molecular Properties

Compound Name2-[(5-bromo-2-methoxyphenyl)methyl]-2-methylbutan-1-amine
PubChem CID62725313
Molecular FormulaC13H20BrNO
Molecular Weight286.21 g/mol
Exact Mass285.07
IUPAC Name2-[(5-bromo-2-methoxyphenyl)methyl]-2-methylbutan-1-amine
SMILESCCC(C)(CN)Cc1cc(Br)ccc1OC
InChIInChI=1S/C13H20BrNO/c1-4-13(2,9-15)8-10-7-11(14)5-6-12(10)16-3/h5-7H,4,8-9,15H2,1-3H3
InChIKeyJYXHDEDHVWJQPN-UHFFFAOYSA-N
XLogP3.38
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 ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(5-bromo-2-methoxyphenyl)methyl]-N-ethyl-2-methylbutan-1-amine
CID 62726093
3-(5-bromo-2-methoxyphenyl)-2-fluoro-2-methylpropan-1-amine
CID 112565229
2-[(5-bromo-2-fluorophenyl)methyl]-2-methylbutan-1-amine
CID 62725310
2-[(5-bromo-2-methoxyphenyl)methyl]-2-methyl-N-(2-methylpropyl)butan-1-amine
CID 63509370
2-[(3-bromo-4-methoxyphenyl)methyl]-2-methylbutan-1-amine
CID 62725314
4-bromo-2-(2-chloro-2-methylpropyl)-1-methoxybenzene
CID 4605776
1-[(5-bromo-2-methoxyphenyl)methoxy]-2-methylbutan-2-amine
CID 64573817
3-amino-N-[(5-bromo-2-methoxyphenyl)methyl]-2,2-dimethylpropanamide
CID 115154641
1-(5-bromo-2-methoxyphenyl)-2-(2-fluorophenyl)butan-2-amine
CID 115996356
N'-[2-(5-bromo-2-methoxyphenyl)ethyl]-N'-methylmethanediamine
CID 115226195
2-[(5-bromo-2-methoxyphenyl)methyl]butan-1-amine
CID 62505917
2-[2,2-bis(bromomethyl)-3-methylbutyl]-4-bromo-1-methoxybenzene
CID 79455463

Frequently Asked Questions

What is the IUPAC name of 2-[(5-bromo-2-methoxyphenyl)methyl]-2-methylbutan-1-amine?
The IUPAC name of 2-[(5-bromo-2-methoxyphenyl)methyl]-2-methylbutan-1-amine (CID 62725313) is 2-[(5-bromo-2-methoxyphenyl)methyl]-2-methylbutan-1-amine.
What is the SMILES notation for 2-[(5-bromo-2-methoxyphenyl)methyl]-2-methylbutan-1-amine?
The canonical SMILES for 2-[(5-bromo-2-methoxyphenyl)methyl]-2-methylbutan-1-amine is CCC(C)(CN)Cc1cc(Br)ccc1OC.
What is the InChIKey of 2-[(5-bromo-2-methoxyphenyl)methyl]-2-methylbutan-1-amine?
The InChIKey is JYXHDEDHVWJQPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20BrNO/c1-4-13(2,9-15)8-10-7-11(14)5-6-12(10)16-3/h5-7H,4,8-9,15H2,1-3H3.
What are the key properties of 2-[(5-bromo-2-methoxyphenyl)methyl]-2-methylbutan-1-amine?
2-[(5-bromo-2-methoxyphenyl)methyl]-2-methylbutan-1-amine has a molecular weight of 286.21 g/mol, XLogP of 3.38, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-bromo-2-methoxyphenyl)methyl]-2-methylbutan-1-amine is sourced from PubChem (CID 62725313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).