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

C11H16BrNO — CID 18697503

IUPAC2-(2-bromo-5-methoxyphenyl)-2-methylpropan-1-amine
SMILESCOc1ccc(Br)c(C(C)(C)CN)c1
InChIInChI=1S/C11H16BrNO/c1-11(2,7-13)9-6-8(14-3)4-5-10(9)12/h4-6H,7,13H2,1-3H3
InChIKeyZHNDRAMUQMUQAV-UHFFFAOYSA-N
MW258.16 g/mol
LogP2.69
Rot. Bonds3

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

2-(2-bromo-5-methoxyphenyl)-2-methylpropan-1-amine (PubChem CID 18697503) has the molecular formula C11H16BrNO and a molecular weight of 258.16 g/mol. Its IUPAC name is 2-(2-bromo-5-methoxyphenyl)-2-methylpropan-1-amine.

Molecular Properties

Compound Name2-(2-bromo-5-methoxyphenyl)-2-methylpropan-1-amine
PubChem CID18697503
Molecular FormulaC11H16BrNO
Molecular Weight258.16 g/mol
Exact Mass257.04
IUPAC Name2-(2-bromo-5-methoxyphenyl)-2-methylpropan-1-amine
SMILESCOc1ccc(Br)c(C(C)(C)CN)c1
InChIInChI=1S/C11H16BrNO/c1-11(2,7-13)9-6-8(14-3)4-5-10(9)12/h4-6H,7,13H2,1-3H3
InChIKeyZHNDRAMUQMUQAV-UHFFFAOYSA-N
XLogP2.69
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.16
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2-bromo-5-methoxyphenyl)pentan-3-ol
CID 72942483
2-(2-bromo-5-methoxyphenyl)ethanamine
CID 46831332
2-(3-methoxyphenyl)-2-methylpropan-1-amine;hydrochloride
CID 67605594
2-(2-bromo-5-methoxyphenyl)ethanamine;hydrochloride
CID 53493299
(1S)-1-(2-bromo-5-methoxyphenyl)ethane-1,2-diamine
CID 130673057
(1R)-1-(2-bromo-5-methoxyphenyl)ethane-1,2-diamine;hydrochloride
CID 171224399
5-(2-tert-butyl-4-methoxyphenoxy)-2,2-dimethylpentan-1-amine
CID 65256212
2-fluoro-2-(2-fluoro-4-methoxyphenyl)propan-1-amine
CID 69346788
2-(1-chloro-2-methylpropan-2-yl)-1,4-dimethoxybenzene
CID 82081447
1-(2-bromo-4-methoxyphenyl)ethane-1,2-diamine
CID 126973068
2-(5-methoxy-1,3-benzothiazol-2-yl)-2-methylpropan-1-amine
CID 84628462
2-(4-methoxy-2-methylphenyl)sulfanyl-2-methylpropan-1-amine
CID 117032593

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-5-methoxyphenyl)-2-methylpropan-1-amine?
The IUPAC name of 2-(2-bromo-5-methoxyphenyl)-2-methylpropan-1-amine (CID 18697503) is 2-(2-bromo-5-methoxyphenyl)-2-methylpropan-1-amine.
What is the SMILES notation for 2-(2-bromo-5-methoxyphenyl)-2-methylpropan-1-amine?
The canonical SMILES for 2-(2-bromo-5-methoxyphenyl)-2-methylpropan-1-amine is COc1ccc(Br)c(C(C)(C)CN)c1.
What is the InChIKey of 2-(2-bromo-5-methoxyphenyl)-2-methylpropan-1-amine?
The InChIKey is ZHNDRAMUQMUQAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrNO/c1-11(2,7-13)9-6-8(14-3)4-5-10(9)12/h4-6H,7,13H2,1-3H3.
What are the key properties of 2-(2-bromo-5-methoxyphenyl)-2-methylpropan-1-amine?
2-(2-bromo-5-methoxyphenyl)-2-methylpropan-1-amine has a molecular weight of 258.16 g/mol, XLogP of 2.69, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-5-methoxyphenyl)-2-methylpropan-1-amine is sourced from PubChem (CID 18697503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).