3,5-dibromo-N-(2-methylpropyl)aniline

C10H13Br2N — CID 154120132

IUPAC3,5-dibromo-N-(2-methylpropyl)aniline
SMILESCC(C)CNc1cc(Br)cc(Br)c1
InChIInChI=1S/C10H13Br2N/c1-7(2)6-13-10-4-8(11)3-9(12)5-10/h3-5,7,13H,6H2,1-2H3
InChIKeyDBDQYLOQPRMILH-UHFFFAOYSA-N
MW307.03 g/mol
LogP4.28
Rot. Bonds3

About 3,5-dibromo-N-(2-methylpropyl)aniline

3,5-dibromo-N-(2-methylpropyl)aniline (PubChem CID 154120132) has the molecular formula C10H13Br2N and a molecular weight of 307.03 g/mol. Its IUPAC name is 3,5-dibromo-N-(2-methylpropyl)aniline.

Molecular Properties

Compound Name3,5-dibromo-N-(2-methylpropyl)aniline
PubChem CID154120132
Molecular FormulaC10H13Br2N
Molecular Weight307.03 g/mol
Exact Mass304.94
IUPAC Name3,5-dibromo-N-(2-methylpropyl)aniline
SMILESCC(C)CNc1cc(Br)cc(Br)c1
InChIInChI=1S/C10H13Br2N/c1-7(2)6-13-10-4-8(11)3-9(12)5-10/h3-5,7,13H,6H2,1-2H3
InChIKeyDBDQYLOQPRMILH-UHFFFAOYSA-N
XLogP4.28
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.03
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-fluoro-5-methyl-N-(2-methylpropyl)aniline
CID 75356152
(2S)-1-(3-bromo-5-methylanilino)propan-2-ol
CID 107583258
3,5-difluoro-N-(2-methylpropyl)aniline;hydrochloride
CID 47002202
4-bromo-2,6-difluoro-N-(2-methylpropyl)aniline
CID 65468716
3,4,5-trifluoro-N-(2-methylpropyl)aniline
CID 62809579
3-bromo-N-(2,2-difluoroethyl)-5-methylaniline
CID 107583058
3-bromo-N-(3-methoxy-2-methylpropyl)-5-methylaniline
CID 102673341
1-N,3-N-bis(2-methylpropyl)benzene-1,3-diamine
CID 86210277
4-bromo-3-chloro-N-(2-methylpropyl)aniline
CID 83326794
3-bromo-5-methyl-N-(3-methyl-2-phenylbutyl)aniline
CID 107876485
1-(3-bromo-5-methylanilino)-3-(4-methylpentan-2-yloxy)propan-2-ol
CID 107583341
1-(3-bromo-5-chloroanilino)butan-2-ol
CID 131187308

Frequently Asked Questions

What is the IUPAC name of 3,5-dibromo-N-(2-methylpropyl)aniline?
The IUPAC name of 3,5-dibromo-N-(2-methylpropyl)aniline (CID 154120132) is 3,5-dibromo-N-(2-methylpropyl)aniline.
What is the SMILES notation for 3,5-dibromo-N-(2-methylpropyl)aniline?
The canonical SMILES for 3,5-dibromo-N-(2-methylpropyl)aniline is CC(C)CNc1cc(Br)cc(Br)c1.
What is the InChIKey of 3,5-dibromo-N-(2-methylpropyl)aniline?
The InChIKey is DBDQYLOQPRMILH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13Br2N/c1-7(2)6-13-10-4-8(11)3-9(12)5-10/h3-5,7,13H,6H2,1-2H3.
What are the key properties of 3,5-dibromo-N-(2-methylpropyl)aniline?
3,5-dibromo-N-(2-methylpropyl)aniline has a molecular weight of 307.03 g/mol, XLogP of 4.28, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dibromo-N-(2-methylpropyl)aniline is sourced from PubChem (CID 154120132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).