4-bromo-N-(2-methoxy-2-methylpropyl)aniline

C11H16BrNO — CID 130906263

IUPAC4-bromo-N-(2-methoxy-2-methylpropyl)aniline
SMILESCOC(C)(C)CNc1ccc(Br)cc1
InChIInChI=1S/C11H16BrNO/c1-11(2,14-3)8-13-10-6-4-9(12)5-7-10/h4-7,13H,8H2,1-3H3
InChIKeyXGCQALVLJGFTAF-UHFFFAOYSA-N
MW258.16 g/mol
LogP3.29
Rot. Bonds4

About 4-bromo-N-(2-methoxy-2-methylpropyl)aniline

4-bromo-N-(2-methoxy-2-methylpropyl)aniline (PubChem CID 130906263) has the molecular formula C11H16BrNO and a molecular weight of 258.16 g/mol. Its IUPAC name is 4-bromo-N-(2-methoxy-2-methylpropyl)aniline.

Molecular Properties

Compound Name4-bromo-N-(2-methoxy-2-methylpropyl)aniline
PubChem CID130906263
Molecular FormulaC11H16BrNO
Molecular Weight258.16 g/mol
Exact Mass257.04
IUPAC Name4-bromo-N-(2-methoxy-2-methylpropyl)aniline
SMILESCOC(C)(C)CNc1ccc(Br)cc1
InChIInChI=1S/C11H16BrNO/c1-11(2,14-3)8-13-10-6-4-9(12)5-7-10/h4-7,13H,8H2,1-3H3
InChIKeyXGCQALVLJGFTAF-UHFFFAOYSA-N
XLogP3.29
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.16
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(4-bromophenyl)ethyl]-2-methoxy-2-methylpropan-1-amine
CID 115664039
4-[(2-methoxy-2-methylpropyl)amino]benzenecarbothioamide
CID 104761829
3-(4-bromoanilino)-2,2-dimethylpropan-1-ol
CID 81414174
2-N-(4-bromophenyl)-4-methoxy-4-methylpentane-1,2-diamine
CID 106675740
2-(4-bromoanilino)-4-methoxy-2,4-dimethylpentanenitrile
CID 54886416
2-[(4-bromoanilino)methyl]-2-ethylbutan-1-ol
CID 81411598
3-N-(2-methoxy-2-methylpropyl)-5-methylbenzene-1,3-diamine
CID 104758816
N-[(5-bromo-2-pyridinyl)methyl]-2-methoxy-2-methylpropan-1-amine
CID 115656244
N-[(4-bromophenyl)methyl]-4-methoxy-4-methylpentan-2-amine
CID 60749843
4-N-(2-methoxy-2-methylpropyl)-2-propan-2-yloxybenzene-1,4-diamine
CID 113449895
4-bromo-N-(2-methylbutyl)aniline
CID 43201294
N-[1-(2-bromophenyl)ethyl]-2-methoxy-2-methylpropan-1-amine
CID 115664067

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(2-methoxy-2-methylpropyl)aniline?
The IUPAC name of 4-bromo-N-(2-methoxy-2-methylpropyl)aniline (CID 130906263) is 4-bromo-N-(2-methoxy-2-methylpropyl)aniline.
What is the SMILES notation for 4-bromo-N-(2-methoxy-2-methylpropyl)aniline?
The canonical SMILES for 4-bromo-N-(2-methoxy-2-methylpropyl)aniline is COC(C)(C)CNc1ccc(Br)cc1.
What is the InChIKey of 4-bromo-N-(2-methoxy-2-methylpropyl)aniline?
The InChIKey is XGCQALVLJGFTAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrNO/c1-11(2,14-3)8-13-10-6-4-9(12)5-7-10/h4-7,13H,8H2,1-3H3.
What are the key properties of 4-bromo-N-(2-methoxy-2-methylpropyl)aniline?
4-bromo-N-(2-methoxy-2-methylpropyl)aniline has a molecular weight of 258.16 g/mol, XLogP of 3.29, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(2-methoxy-2-methylpropyl)aniline is sourced from PubChem (CID 130906263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).