1-(5-bromo-2-chlorophenyl)-N,2-dimethylpropan-1-amine

C11H15BrClN — CID 114979016

IUPAC1-(5-bromo-2-chlorophenyl)-N,2-dimethylpropan-1-amine
SMILESCNC(c1cc(Br)ccc1Cl)C(C)C
InChIInChI=1S/C11H15BrClN/c1-7(2)11(14-3)9-6-8(12)4-5-10(9)13/h4-7,11,14H,1-3H3
InChIKeyUSJMNOWABJNZAF-UHFFFAOYSA-N
MW276.61 g/mol
LogP4.02
Rot. Bonds3

About 1-(5-bromo-2-chlorophenyl)-N,2-dimethylpropan-1-amine

1-(5-bromo-2-chlorophenyl)-N,2-dimethylpropan-1-amine (PubChem CID 114979016) has the molecular formula C11H15BrClN and a molecular weight of 276.61 g/mol. Its IUPAC name is 1-(5-bromo-2-chlorophenyl)-N,2-dimethylpropan-1-amine.

Molecular Properties

Compound Name1-(5-bromo-2-chlorophenyl)-N,2-dimethylpropan-1-amine
PubChem CID114979016
Molecular FormulaC11H15BrClN
Molecular Weight276.61 g/mol
Exact Mass275.01
IUPAC Name1-(5-bromo-2-chlorophenyl)-N,2-dimethylpropan-1-amine
SMILESCNC(c1cc(Br)ccc1Cl)C(C)C
InChIInChI=1S/C11H15BrClN/c1-7(2)11(14-3)9-6-8(12)4-5-10(9)13/h4-7,11,14H,1-3H3
InChIKeyUSJMNOWABJNZAF-UHFFFAOYSA-N
XLogP4.02
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.61
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(5-bromo-2-chlorophenyl)-1-(5-bromo-2-methoxyphenyl)-N-methylmethanamine
CID 43480017
1-(5-bromo-2-chlorophenyl)-N-methyl-1-(2,4,5-trifluorophenyl)methanamine
CID 103302141
1-(5-bromo-2-chlorophenyl)-1-(4-tert-butylphenyl)-N-methylmethanamine
CID 43484397
1-(5-bromo-2-chlorophenyl)-2,2-dimethylpropan-1-ol
CID 115796560
1-(5-bromo-2-chlorophenyl)-N-methyl-1-pyrimidin-5-ylmethanamine
CID 115827656
1-(5-bromo-2-chlorophenyl)-2-(2,6-dichlorophenyl)-N-methylethanamine
CID 115830664
(1R,2S)-1-amino-1-(5-bromo-2-chlorophenyl)-3-methylbutan-2-ol;hydrochloride
CID 171262154
4-bromo-1-chloro-2-[chloro-(4-propan-2-ylphenyl)methyl]benzene
CID 55198727
(1S,2R)-1-amino-1-(5-bromo-2-chlorophenyl)propan-2-ol
CID 130649262
1-(5-bromo-2-chlorophenyl)-N-methylundecan-1-amine
CID 115846020
1-(5-bromo-2-chlorophenyl)-1-(4-ethoxyphenyl)-N-methylmethanamine
CID 43481853
1-(5-bromo-2-chlorophenyl)-3-methylbutan-1-amine
CID 83988607

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2-chlorophenyl)-N,2-dimethylpropan-1-amine?
The IUPAC name of 1-(5-bromo-2-chlorophenyl)-N,2-dimethylpropan-1-amine (CID 114979016) is 1-(5-bromo-2-chlorophenyl)-N,2-dimethylpropan-1-amine.
What is the SMILES notation for 1-(5-bromo-2-chlorophenyl)-N,2-dimethylpropan-1-amine?
The canonical SMILES for 1-(5-bromo-2-chlorophenyl)-N,2-dimethylpropan-1-amine is CNC(c1cc(Br)ccc1Cl)C(C)C.
What is the InChIKey of 1-(5-bromo-2-chlorophenyl)-N,2-dimethylpropan-1-amine?
The InChIKey is USJMNOWABJNZAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrClN/c1-7(2)11(14-3)9-6-8(12)4-5-10(9)13/h4-7,11,14H,1-3H3.
What are the key properties of 1-(5-bromo-2-chlorophenyl)-N,2-dimethylpropan-1-amine?
1-(5-bromo-2-chlorophenyl)-N,2-dimethylpropan-1-amine has a molecular weight of 276.61 g/mol, XLogP of 4.02, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-2-chlorophenyl)-N,2-dimethylpropan-1-amine is sourced from PubChem (CID 114979016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).