2-bromo-5-tert-butyl-N-methylaniline;hydrochloride

C11H17BrClN — CID 167741746

IUPAC2-bromo-5-tert-butyl-N-methylaniline;hydrochloride
SMILESCNc1cc(C(C)(C)C)ccc1Br.Cl
InChIInChI=1S/C11H16BrN.ClH/c1-11(2,3)8-5-6-9(12)10(7-8)13-4;/h5-7,13H,1-4H3;1H
InChIKeyJXANUTLPPARVMJ-UHFFFAOYSA-N
MW278.62 g/mol
LogP4.21
Rot. Bonds1

About 2-bromo-5-tert-butyl-N-methylaniline;hydrochloride

2-bromo-5-tert-butyl-N-methylaniline;hydrochloride (PubChem CID 167741746) has the molecular formula C11H17BrClN and a molecular weight of 278.62 g/mol. Its IUPAC name is 2-bromo-5-tert-butyl-N-methylaniline;hydrochloride.

Molecular Properties

Compound Name2-bromo-5-tert-butyl-N-methylaniline;hydrochloride
PubChem CID167741746
Molecular FormulaC11H17BrClN
Molecular Weight278.62 g/mol
Exact Mass277.02
IUPAC Name2-bromo-5-tert-butyl-N-methylaniline;hydrochloride
SMILESCNc1cc(C(C)(C)C)ccc1Br.Cl
InChIInChI=1S/C11H16BrN.ClH/c1-11(2,3)8-5-6-9(12)10(7-8)13-4;/h5-7,13H,1-4H3;1H
InChIKeyJXANUTLPPARVMJ-UHFFFAOYSA-N
XLogP4.21
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.62
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 146504103
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4-tert-butyl-N-methyl-2-propylaniline
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5-tert-butyl-2-ethanimidoyl-N-methylaniline;ethane
CID 144540330
2-bromo-N-(4-methylpentyl)-5-(trifluoromethyl)aniline
CID 114042779
2-(3-tert-butylphenyl)-N-methylaniline
CID 167056451
1-bromo-4-tert-butyl-2-propylbenzene
CID 174167812
3-(2-bromo-5-tert-butylanilino)-1-(2-hydroxyethyl)pyrrole-2,5-dione
CID 168556575
3-[2-bromo-5-(trifluoromethyl)anilino]-2,2-dimethylpropan-1-ol
CID 114042680
5-tert-butyl-N-methyl-2-propanimidoylaniline
CID 123530487
2-bromo-4-tert-butyl-N-(4-chlorophenyl)aniline
CID 170723804

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-tert-butyl-N-methylaniline;hydrochloride?
The IUPAC name of 2-bromo-5-tert-butyl-N-methylaniline;hydrochloride (CID 167741746) is 2-bromo-5-tert-butyl-N-methylaniline;hydrochloride.
What is the SMILES notation for 2-bromo-5-tert-butyl-N-methylaniline;hydrochloride?
The canonical SMILES for 2-bromo-5-tert-butyl-N-methylaniline;hydrochloride is CNc1cc(C(C)(C)C)ccc1Br.Cl.
What is the InChIKey of 2-bromo-5-tert-butyl-N-methylaniline;hydrochloride?
The InChIKey is JXANUTLPPARVMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrN.ClH/c1-11(2,3)8-5-6-9(12)10(7-8)13-4;/h5-7,13H,1-4H3;1H.
What are the key properties of 2-bromo-5-tert-butyl-N-methylaniline;hydrochloride?
2-bromo-5-tert-butyl-N-methylaniline;hydrochloride has a molecular weight of 278.62 g/mol, XLogP of 4.21, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-tert-butyl-N-methylaniline;hydrochloride is sourced from PubChem (CID 167741746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).