2-(4-bromophenyl)-N-propan-2-yl-4-(trifluoromethylsulfanyl)butan-1-amine

C14H19BrF3NS — CID 116617842

IUPAC2-(4-bromophenyl)-N-propan-2-yl-4-(trifluoromethylsulfanyl)butan-1-amine
SMILESCC(C)NCC(CCSC(F)(F)F)c1ccc(Br)cc1
InChIInChI=1S/C14H19BrF3NS/c1-10(2)19-9-12(7-8-20-14(16,17)18)11-3-5-13(15)6-4-11/h3-6,10,12,19H,7-9H2,1-2H3
InChIKeyXAPYYMDYPIRLKW-UHFFFAOYSA-N
MW370.28 g/mol
LogP5.17
Rot. Bonds7

About 2-(4-bromophenyl)-N-propan-2-yl-4-(trifluoromethylsulfanyl)butan-1-amine

2-(4-bromophenyl)-N-propan-2-yl-4-(trifluoromethylsulfanyl)butan-1-amine (PubChem CID 116617842) has the molecular formula C14H19BrF3NS and a molecular weight of 370.28 g/mol. Its IUPAC name is 2-(4-bromophenyl)-N-propan-2-yl-4-(trifluoromethylsulfanyl)butan-1-amine.

Molecular Properties

Compound Name2-(4-bromophenyl)-N-propan-2-yl-4-(trifluoromethylsulfanyl)butan-1-amine
PubChem CID116617842
Molecular FormulaC14H19BrF3NS
Molecular Weight370.28 g/mol
Exact Mass369.04
IUPAC Name2-(4-bromophenyl)-N-propan-2-yl-4-(trifluoromethylsulfanyl)butan-1-amine
SMILESCC(C)NCC(CCSC(F)(F)F)c1ccc(Br)cc1
InChIInChI=1S/C14H19BrF3NS/c1-10(2)19-9-12(7-8-20-14(16,17)18)11-3-5-13(15)6-4-11/h3-6,10,12,19H,7-9H2,1-2H3
InChIKeyXAPYYMDYPIRLKW-UHFFFAOYSA-N
XLogP5.17
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.28
LogP ≤ 55.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(4-bromophenyl)-N-propan-2-yl-4-(trifluoromethylsulfanyl)butan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(4-bromophenyl)-N-ethyl-4-(trifluoromethylsulfanyl)butan-1-amine
CID 116617831
2-[(3-bromophenyl)methyl]-N-propan-2-yl-4-(trifluoromethylsulfanyl)butan-1-amine
CID 116617660
3-(2-bromophenyl)-2-(4-bromophenyl)-N-propan-2-ylpropan-1-amine
CID 79430471
2-(3-bromophenyl)-N-ethyl-4-(trifluoromethylsulfanyl)butan-1-amine
CID 116617873
2-(4-chlorophenyl)-N-propyl-4-(trifluoromethylsulfanyl)butan-1-amine
CID 116617850
2-[(4-chlorophenyl)methyl]-N-propan-2-yl-4-(trifluoromethylsulfanyl)butan-1-amine
CID 116617633
N-(2-methoxyethyl)-2-phenyl-4-(trifluoromethylsulfanyl)butan-1-amine
CID 116617798
2-(3-bromophenyl)-4-(trifluoromethylsulfanyl)butan-1-ol
CID 116627906
(1S)-1-(3-bromophenyl)-N-[2-(trifluoromethylsulfanyl)ethyl]ethanamine
CID 104891274
N-[1-(4-bromophenyl)ethyl]-2,2,2-trifluoroethanamine;hydrochloride
CID 172883235
2-(4-bromophenyl)-N-tert-butyl-6-methylheptan-1-amine
CID 83168805
N-[2-(4-bromophenyl)-2-cyclopropylethyl]propan-2-amine
CID 104819466

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-N-propan-2-yl-4-(trifluoromethylsulfanyl)butan-1-amine?
The IUPAC name of 2-(4-bromophenyl)-N-propan-2-yl-4-(trifluoromethylsulfanyl)butan-1-amine (CID 116617842) is 2-(4-bromophenyl)-N-propan-2-yl-4-(trifluoromethylsulfanyl)butan-1-amine.
What is the SMILES notation for 2-(4-bromophenyl)-N-propan-2-yl-4-(trifluoromethylsulfanyl)butan-1-amine?
The canonical SMILES for 2-(4-bromophenyl)-N-propan-2-yl-4-(trifluoromethylsulfanyl)butan-1-amine is CC(C)NCC(CCSC(F)(F)F)c1ccc(Br)cc1.
What is the InChIKey of 2-(4-bromophenyl)-N-propan-2-yl-4-(trifluoromethylsulfanyl)butan-1-amine?
The InChIKey is XAPYYMDYPIRLKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrF3NS/c1-10(2)19-9-12(7-8-20-14(16,17)18)11-3-5-13(15)6-4-11/h3-6,10,12,19H,7-9H2,1-2H3.
What are the key properties of 2-(4-bromophenyl)-N-propan-2-yl-4-(trifluoromethylsulfanyl)butan-1-amine?
2-(4-bromophenyl)-N-propan-2-yl-4-(trifluoromethylsulfanyl)butan-1-amine has a molecular weight of 370.28 g/mol, XLogP of 5.17, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-N-propan-2-yl-4-(trifluoromethylsulfanyl)butan-1-amine is sourced from PubChem (CID 116617842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).