N-[2-(2-bromophenyl)ethyl]-2,2,2-trifluoro-N-methylethanamine

C11H13BrF3N — CID 115258137

IUPACN-[2-(2-bromophenyl)ethyl]-2,2,2-trifluoro-N-methylethanamine
SMILESCN(CCc1ccccc1Br)CC(F)(F)F
InChIInChI=1S/C11H13BrF3N/c1-16(8-11(13,14)15)7-6-9-4-2-3-5-10(9)12/h2-5H,6-8H2,1H3
InChIKeyNVCNIGPPWKXORU-UHFFFAOYSA-N
MW296.13 g/mol
LogP3.49
Rot. Bonds4

About N-[2-(2-bromophenyl)ethyl]-2,2,2-trifluoro-N-methylethanamine

N-[2-(2-bromophenyl)ethyl]-2,2,2-trifluoro-N-methylethanamine (PubChem CID 115258137) has the molecular formula C11H13BrF3N and a molecular weight of 296.13 g/mol. Its IUPAC name is N-[2-(2-bromophenyl)ethyl]-2,2,2-trifluoro-N-methylethanamine.

Molecular Properties

Compound NameN-[2-(2-bromophenyl)ethyl]-2,2,2-trifluoro-N-methylethanamine
PubChem CID115258137
Molecular FormulaC11H13BrF3N
Molecular Weight296.13 g/mol
Exact Mass295.02
IUPAC NameN-[2-(2-bromophenyl)ethyl]-2,2,2-trifluoro-N-methylethanamine
SMILESCN(CCc1ccccc1Br)CC(F)(F)F
InChIInChI=1S/C11H13BrF3N/c1-16(8-11(13,14)15)7-6-9-4-2-3-5-10(9)12/h2-5H,6-8H2,1H3
InChIKeyNVCNIGPPWKXORU-UHFFFAOYSA-N
XLogP3.49
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.13
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

Bretylium
CID 2431
N,N-dimethyl-2-bromophenylethylamine
CID 151465
2-(2-bromophenyl)-N-methylethanamine
CID 11964124
(2-(4-Bromophenyl)ethyl)dimethylamine
CID 10751802
2-(4-bromophenyl)-N-methyl-N-prop-2-ynylprop-2-en-1-amine;hydrochloride
CID 118733539
(2-Bromobenzyl)[2-(diethylamino)ethyl]ethylamine
CID 2053516
Benzenemethanaminium, 2-bromo-N-ethyl-N,N-dimethyl-, bromide (1:1)
CID 18499
2-Bromomethamphetamine
CID 107262
2-bromo-N,N-dimethylbenzylamine
CID 74792
2-(2-bromophenyl)-N,N-dipropylcyclopropan-1-amine;hydrochloride
CID 45259923
3-bromo-N,N-dimethylBenzeneethanamine
CID 18367548
Ammonium, (o-bromobenzyl)trimethyl-, bromide
CID 52136

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-bromophenyl)ethyl]-2,2,2-trifluoro-N-methylethanamine?
The IUPAC name of N-[2-(2-bromophenyl)ethyl]-2,2,2-trifluoro-N-methylethanamine (CID 115258137) is N-[2-(2-bromophenyl)ethyl]-2,2,2-trifluoro-N-methylethanamine.
What is the SMILES notation for N-[2-(2-bromophenyl)ethyl]-2,2,2-trifluoro-N-methylethanamine?
The canonical SMILES for N-[2-(2-bromophenyl)ethyl]-2,2,2-trifluoro-N-methylethanamine is CN(CCc1ccccc1Br)CC(F)(F)F.
What is the InChIKey of N-[2-(2-bromophenyl)ethyl]-2,2,2-trifluoro-N-methylethanamine?
The InChIKey is NVCNIGPPWKXORU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrF3N/c1-16(8-11(13,14)15)7-6-9-4-2-3-5-10(9)12/h2-5H,6-8H2,1H3.
What are the key properties of N-[2-(2-bromophenyl)ethyl]-2,2,2-trifluoro-N-methylethanamine?
N-[2-(2-bromophenyl)ethyl]-2,2,2-trifluoro-N-methylethanamine has a molecular weight of 296.13 g/mol, XLogP of 3.49, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-bromophenyl)ethyl]-2,2,2-trifluoro-N-methylethanamine is sourced from PubChem (CID 115258137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).