1-(5-bromo-2-methylphenyl)-N,N-dimethylethanamine

C11H16BrN — CID 116914675

IUPAC1-(5-bromo-2-methylphenyl)-N,N-dimethylethanamine
SMILESCc1ccc(Br)cc1C(C)N(C)C
InChIInChI=1S/C11H16BrN/c1-8-5-6-10(12)7-11(8)9(2)13(3)4/h5-7,9H,1-4H3
InChIKeyHIFCBXNVQVPELU-UHFFFAOYSA-N
MW242.16 g/mol
LogP3.38
Rot. Bonds2

About 1-(5-bromo-2-methylphenyl)-N,N-dimethylethanamine

1-(5-bromo-2-methylphenyl)-N,N-dimethylethanamine (PubChem CID 116914675) has the molecular formula C11H16BrN and a molecular weight of 242.16 g/mol. Its IUPAC name is 1-(5-bromo-2-methylphenyl)-N,N-dimethylethanamine.

Molecular Properties

Compound Name1-(5-bromo-2-methylphenyl)-N,N-dimethylethanamine
PubChem CID116914675
Molecular FormulaC11H16BrN
Molecular Weight242.16 g/mol
Exact Mass241.05
IUPAC Name1-(5-bromo-2-methylphenyl)-N,N-dimethylethanamine
SMILESCc1ccc(Br)cc1C(C)N(C)C
InChIInChI=1S/C11H16BrN/c1-8-5-6-10(12)7-11(8)9(2)13(3)4/h5-7,9H,1-4H3
InChIKeyHIFCBXNVQVPELU-UHFFFAOYSA-N
XLogP3.38
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.16
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(5-bromo-2-methylphenyl)ethanamine
CID 82647898
2-(5-bromo-2-methylphenyl)-3-methylbutanenitrile
CID 116964665
1-(5-bromo-2-methylphenyl)-N,N-dimethyl-1-piperazin-1-ylmethanamine
CID 116909703
4-bromo-2-[bromo-(4-butan-2-ylphenyl)methyl]-1-methylbenzene
CID 65311990
N,N-dimethyl-1-(2,3,4-trimethylphenyl)ethanamine
CID 116914689
(1R)-1-(5-bromo-2-methylphenyl)propan-1-amine
CID 96840213
2-(5-bromo-2-methylphenyl)-N,3-dimethylbutan-1-amine
CID 116964369
2-[amino-(5-bromo-2-methylphenyl)methyl]-3-methylbutanenitrile
CID 116946388
(1R)-1-(5-bromo-2-methylphenyl)propan-1-amine;hydrochloride
CID 171203844
2-amino-2-(5-bromo-2-methylphenyl)acetaldehyde
CID 116939092
1-(5-bromo-2-methylphenyl)-N,N-dimethyl-2-piperidin-4-ylethanamine
CID 116906891
(1R)-1-(5-bromo-2-methylphenyl)prop-2-en-1-amine;hydrochloride
CID 171203845

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2-methylphenyl)-N,N-dimethylethanamine?
The IUPAC name of 1-(5-bromo-2-methylphenyl)-N,N-dimethylethanamine (CID 116914675) is 1-(5-bromo-2-methylphenyl)-N,N-dimethylethanamine.
What is the SMILES notation for 1-(5-bromo-2-methylphenyl)-N,N-dimethylethanamine?
The canonical SMILES for 1-(5-bromo-2-methylphenyl)-N,N-dimethylethanamine is Cc1ccc(Br)cc1C(C)N(C)C.
What is the InChIKey of 1-(5-bromo-2-methylphenyl)-N,N-dimethylethanamine?
The InChIKey is HIFCBXNVQVPELU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrN/c1-8-5-6-10(12)7-11(8)9(2)13(3)4/h5-7,9H,1-4H3.
What are the key properties of 1-(5-bromo-2-methylphenyl)-N,N-dimethylethanamine?
1-(5-bromo-2-methylphenyl)-N,N-dimethylethanamine has a molecular weight of 242.16 g/mol, XLogP of 3.38, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-2-methylphenyl)-N,N-dimethylethanamine is sourced from PubChem (CID 116914675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).