1-(4-bromophenyl)-2,2,2-trifluoro-N,N-dimethylethanamine

C10H11BrF3N — CID 116914319

IUPAC1-(4-bromophenyl)-2,2,2-trifluoro-N,N-dimethylethanamine
SMILESCN(C)C(c1ccc(Br)cc1)C(F)(F)F
InChIInChI=1S/C10H11BrF3N/c1-15(2)9(10(12,13)14)7-3-5-8(11)6-4-7/h3-6,9H,1-2H3
InChIKeyAEFQFFARTGHVRL-UHFFFAOYSA-N
MW282.10 g/mol
LogP3.61
Rot. Bonds2

About 1-(4-bromophenyl)-2,2,2-trifluoro-N,N-dimethylethanamine

1-(4-bromophenyl)-2,2,2-trifluoro-N,N-dimethylethanamine (PubChem CID 116914319) has the molecular formula C10H11BrF3N and a molecular weight of 282.10 g/mol. Its IUPAC name is 1-(4-bromophenyl)-2,2,2-trifluoro-N,N-dimethylethanamine.

Molecular Properties

Compound Name1-(4-bromophenyl)-2,2,2-trifluoro-N,N-dimethylethanamine
PubChem CID116914319
Molecular FormulaC10H11BrF3N
Molecular Weight282.10 g/mol
Exact Mass281.00
IUPAC Name1-(4-bromophenyl)-2,2,2-trifluoro-N,N-dimethylethanamine
SMILESCN(C)C(c1ccc(Br)cc1)C(F)(F)F
InChIInChI=1S/C10H11BrF3N/c1-15(2)9(10(12,13)14)7-3-5-8(11)6-4-7/h3-6,9H,1-2H3
InChIKeyAEFQFFARTGHVRL-UHFFFAOYSA-N
XLogP3.61
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.10
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

Bretylium
CID 2431
1-(4-Bromophenyl)ethylamine
CID 91175
(R)-4-bromo-alpha-methylbenzylamine
CID 853000
4-Bromo-N,N-dimethylbenzylamine
CID 235757
Benzenemethanamine, 4-bromo-N-methyl-
CID 485400
(2-(4-Bromophenyl)ethyl)dimethylamine
CID 10751802
2-(4-Bromophenyl)-1-methylpyrrolidine
CID 284897
1-(4-Bromobenzyl)pyrrolidine
CID 12738004
(4-Bromobenzyl)[2-(diethylamino)ethyl]methylamine
CID 784059
1-(4-Bromobenzyl)azepane
CID 791417
2-bromo-N,N-dimethylbenzylamine
CID 74792
4-Bromo-N,N-diisopropylbenzylamine
CID 598770

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-2,2,2-trifluoro-N,N-dimethylethanamine?
The IUPAC name of 1-(4-bromophenyl)-2,2,2-trifluoro-N,N-dimethylethanamine (CID 116914319) is 1-(4-bromophenyl)-2,2,2-trifluoro-N,N-dimethylethanamine.
What is the SMILES notation for 1-(4-bromophenyl)-2,2,2-trifluoro-N,N-dimethylethanamine?
The canonical SMILES for 1-(4-bromophenyl)-2,2,2-trifluoro-N,N-dimethylethanamine is CN(C)C(c1ccc(Br)cc1)C(F)(F)F.
What is the InChIKey of 1-(4-bromophenyl)-2,2,2-trifluoro-N,N-dimethylethanamine?
The InChIKey is AEFQFFARTGHVRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrF3N/c1-15(2)9(10(12,13)14)7-3-5-8(11)6-4-7/h3-6,9H,1-2H3.
What are the key properties of 1-(4-bromophenyl)-2,2,2-trifluoro-N,N-dimethylethanamine?
1-(4-bromophenyl)-2,2,2-trifluoro-N,N-dimethylethanamine has a molecular weight of 282.10 g/mol, XLogP of 3.61, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-2,2,2-trifluoro-N,N-dimethylethanamine is sourced from PubChem (CID 116914319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).