3-(2-bromo-6-chlorophenyl)-2-methylbutan-1-amine

C11H15BrClN — CID 130505913

IUPAC3-(2-bromo-6-chlorophenyl)-2-methylbutan-1-amine
SMILESCC(CN)C(C)c1c(Cl)cccc1Br
InChIInChI=1S/C11H15BrClN/c1-7(6-14)8(2)11-9(12)4-3-5-10(11)13/h3-5,7-8H,6,14H2,1-2H3
InChIKeyGPSHFQSIWNYWSX-UHFFFAOYSA-N
MW276.60 g/mol
LogP3.80
Rot. Bonds3

About 3-(2-bromo-6-chlorophenyl)-2-methylbutan-1-amine

3-(2-bromo-6-chlorophenyl)-2-methylbutan-1-amine (PubChem CID 130505913) has the molecular formula C11H15BrClN and a molecular weight of 276.60 g/mol. Its IUPAC name is 3-(2-bromo-6-chlorophenyl)-2-methylbutan-1-amine.

Molecular Properties

Compound Name3-(2-bromo-6-chlorophenyl)-2-methylbutan-1-amine
PubChem CID130505913
Molecular FormulaC11H15BrClN
Molecular Weight276.60 g/mol
Exact Mass275.01
IUPAC Name3-(2-bromo-6-chlorophenyl)-2-methylbutan-1-amine
SMILESCC(CN)C(C)c1c(Cl)cccc1Br
InChIInChI=1S/C11H15BrClN/c1-7(6-14)8(2)11-9(12)4-3-5-10(11)13/h3-5,7-8H,6,14H2,1-2H3
InChIKeyGPSHFQSIWNYWSX-UHFFFAOYSA-N
XLogP3.80
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.60
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(1S)-1-(2-bromo-6-chlorophenyl)ethane-1,2-diamine
CID 131086535
(1R)-1-(2-bromo-6-chlorophenyl)ethanamine
CID 130968340
(1R)-1-(2,6-dichlorophenyl)ethane-1,2-diamine;hydrochloride
CID 171217423
2-[1-(2-chloro-6-fluorophenyl)ethyl]propane-1,3-diamine
CID 83925233
2-[2-bromo-6-(trifluoromethyl)phenyl]propan-1-amine
CID 117452946
3-amino-1-(2-bromophenyl)-2-methylpropan-1-ol
CID 60733986
methyl 2-amino-2-(2-bromo-6-chlorophenyl)acetate
CID 131421509
3-amino-1-(4-bromo-3-chlorophenyl)-2-methylpropan-1-ol
CID 81308238
2-(2-bromo-6-methylsulfanylphenyl)propan-1-amine
CID 117404152
1-(2-bromo-6-chlorophenyl)-3-chloropropane-1,2-diol
CID 171863325
(1R)-1-(2-amino-6-bromophenyl)ethane-1,2-diamine
CID 131173127
3-chloro-2-[(1S)-1,2-diaminoethyl]phenol
CID 55277698

Frequently Asked Questions

What is the IUPAC name of 3-(2-bromo-6-chlorophenyl)-2-methylbutan-1-amine?
The IUPAC name of 3-(2-bromo-6-chlorophenyl)-2-methylbutan-1-amine (CID 130505913) is 3-(2-bromo-6-chlorophenyl)-2-methylbutan-1-amine.
What is the SMILES notation for 3-(2-bromo-6-chlorophenyl)-2-methylbutan-1-amine?
The canonical SMILES for 3-(2-bromo-6-chlorophenyl)-2-methylbutan-1-amine is CC(CN)C(C)c1c(Cl)cccc1Br.
What is the InChIKey of 3-(2-bromo-6-chlorophenyl)-2-methylbutan-1-amine?
The InChIKey is GPSHFQSIWNYWSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrClN/c1-7(6-14)8(2)11-9(12)4-3-5-10(11)13/h3-5,7-8H,6,14H2,1-2H3.
What are the key properties of 3-(2-bromo-6-chlorophenyl)-2-methylbutan-1-amine?
3-(2-bromo-6-chlorophenyl)-2-methylbutan-1-amine has a molecular weight of 276.60 g/mol, XLogP of 3.80, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-bromo-6-chlorophenyl)-2-methylbutan-1-amine is sourced from PubChem (CID 130505913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).