1-(4-bromophenyl)-N-ethyl-5,5,5-trifluoropentan-2-amine

C13H17BrF3N — CID 64566592

IUPAC1-(4-bromophenyl)-N-ethyl-5,5,5-trifluoropentan-2-amine
SMILESCCNC(CCC(F)(F)F)Cc1ccc(Br)cc1
InChIInChI=1S/C13H17BrF3N/c1-2-18-12(7-8-13(15,16)17)9-10-3-5-11(14)6-4-10/h3-6,12,18H,2,7-9H2,1H3
InChIKeyDTQUFTYNUZIMPW-UHFFFAOYSA-N
MW324.18 g/mol
LogP4.31
Rot. Bonds6

About 1-(4-bromophenyl)-N-ethyl-5,5,5-trifluoropentan-2-amine

1-(4-bromophenyl)-N-ethyl-5,5,5-trifluoropentan-2-amine (PubChem CID 64566592) has the molecular formula C13H17BrF3N and a molecular weight of 324.18 g/mol. Its IUPAC name is 1-(4-bromophenyl)-N-ethyl-5,5,5-trifluoropentan-2-amine.

Molecular Properties

Compound Name1-(4-bromophenyl)-N-ethyl-5,5,5-trifluoropentan-2-amine
PubChem CID64566592
Molecular FormulaC13H17BrF3N
Molecular Weight324.18 g/mol
Exact Mass323.05
IUPAC Name1-(4-bromophenyl)-N-ethyl-5,5,5-trifluoropentan-2-amine
SMILESCCNC(CCC(F)(F)F)Cc1ccc(Br)cc1
InChIInChI=1S/C13H17BrF3N/c1-2-18-12(7-8-13(15,16)17)9-10-3-5-11(14)6-4-10/h3-6,12,18H,2,7-9H2,1H3
InChIKeyDTQUFTYNUZIMPW-UHFFFAOYSA-N
XLogP4.31
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.18
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-ethyl-5,5,5-trifluoro-1-[4-(trifluoromethyl)phenyl]pentan-2-amine
CID 79954040
1-(4-bromophenyl)-N-ethylpentan-2-amine
CID 60819872
1-(4-bromophenyl)-N-ethylbutan-2-amine
CID 60819705
1-(4-bromophenyl)-N-ethylhex-5-yn-2-amine
CID 63656102
1-(4-bromophenyl)-N-ethyl-5-phenylpentan-2-amine
CID 63412898
1-(4-bromophenyl)-N,4-diethylhexan-2-amine
CID 82920737
1-(4-bromophenyl)-N-ethyl-3-pyridin-4-ylpropan-2-amine
CID 55087091
5,5,5-trifluoro-1-(4-fluorophenyl)-N-propylpentan-2-amine
CID 64564942
[1-(4-ethylphenyl)-5,5,5-trifluoropentan-2-yl]hydrazine
CID 105248876
1-(4-bromophenyl)-N-ethyl-5,5,5-trifluoropentan-1-amine
CID 113326940
1-(4-bromophenyl)-3-(4-chloro-3-fluorophenyl)-N-ethylpropan-2-amine
CID 107884489
N-ethyl-6,6,6-trifluoro-1-phenylhexan-3-amine
CID 64566807

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-N-ethyl-5,5,5-trifluoropentan-2-amine?
The IUPAC name of 1-(4-bromophenyl)-N-ethyl-5,5,5-trifluoropentan-2-amine (CID 64566592) is 1-(4-bromophenyl)-N-ethyl-5,5,5-trifluoropentan-2-amine.
What is the SMILES notation for 1-(4-bromophenyl)-N-ethyl-5,5,5-trifluoropentan-2-amine?
The canonical SMILES for 1-(4-bromophenyl)-N-ethyl-5,5,5-trifluoropentan-2-amine is CCNC(CCC(F)(F)F)Cc1ccc(Br)cc1.
What is the InChIKey of 1-(4-bromophenyl)-N-ethyl-5,5,5-trifluoropentan-2-amine?
The InChIKey is DTQUFTYNUZIMPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrF3N/c1-2-18-12(7-8-13(15,16)17)9-10-3-5-11(14)6-4-10/h3-6,12,18H,2,7-9H2,1H3.
What are the key properties of 1-(4-bromophenyl)-N-ethyl-5,5,5-trifluoropentan-2-amine?
1-(4-bromophenyl)-N-ethyl-5,5,5-trifluoropentan-2-amine has a molecular weight of 324.18 g/mol, XLogP of 4.31, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-N-ethyl-5,5,5-trifluoropentan-2-amine is sourced from PubChem (CID 64566592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).