3-(4-bromophenyl)-N-(4,4,4-trifluorobutan-2-yl)cyclobutan-1-amine

C14H17BrF3N — CID 107167855

IUPAC3-(4-bromophenyl)-N-(4,4,4-trifluorobutan-2-yl)cyclobutan-1-amine
SMILESCC(CC(F)(F)F)NC1CC(c2ccc(Br)cc2)C1
InChIInChI=1S/C14H17BrF3N/c1-9(8-14(16,17)18)19-13-6-11(7-13)10-2-4-12(15)5-3-10/h2-5,9,11,13,19H,6-8H2,1H3
InChIKeyNCCNZUJBRFMSTC-UHFFFAOYSA-N
MW336.20 g/mol
LogP4.63
Rot. Bonds4

About 3-(4-bromophenyl)-N-(4,4,4-trifluorobutan-2-yl)cyclobutan-1-amine

3-(4-bromophenyl)-N-(4,4,4-trifluorobutan-2-yl)cyclobutan-1-amine (PubChem CID 107167855) has the molecular formula C14H17BrF3N and a molecular weight of 336.20 g/mol. Its IUPAC name is 3-(4-bromophenyl)-N-(4,4,4-trifluorobutan-2-yl)cyclobutan-1-amine.

Molecular Properties

Compound Name3-(4-bromophenyl)-N-(4,4,4-trifluorobutan-2-yl)cyclobutan-1-amine
PubChem CID107167855
Molecular FormulaC14H17BrF3N
Molecular Weight336.20 g/mol
Exact Mass335.05
IUPAC Name3-(4-bromophenyl)-N-(4,4,4-trifluorobutan-2-yl)cyclobutan-1-amine
SMILESCC(CC(F)(F)F)NC1CC(c2ccc(Br)cc2)C1
InChIInChI=1S/C14H17BrF3N/c1-9(8-14(16,17)18)19-13-6-11(7-13)10-2-4-12(15)5-3-10/h2-5,9,11,13,19H,6-8H2,1H3
InChIKeyNCCNZUJBRFMSTC-UHFFFAOYSA-N
XLogP4.63
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.20
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 3-(4-bromophenyl)-N-(4,4,4-trifluorobutan-2-yl)cyclobutan-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)ethyl](methyl)amine
CID 18367556
[2-(4-Bromo-phenyl)-1-methyl-ethyl]-(3-phenyl-propyl)-amine
CID 15061898
trans-(1S,2R)-2-(4-bromo-2,3-difluorophenyl)cyclopropan-1-amine
CID 168278131
cis-(1R,2R)-2-(4-bromo-2,3-difluorophenyl)cyclopropan-1-amine
CID 168294610
US9670136, 26 N1-((trans)-2-(4-bromophenyl)cyclopropyl)cyclohexane-1,4-diamine
CID 90395381
3-[(4-Bromophenyl)-difluoro-methyl]azetidine
CID 105514406
Azetidine, 3-(p-bromophenyl)-
CID 23619
p-Bromomethamphetamine
CID 107257
4-(4-Bromophenyl)piperidine
CID 2757159
4-(4-Bromophenyl)piperidine hydrochloride
CID 44630758
3-((4-Bromophenyl)methyl)pyrrolidine
CID 60145902
3-(4-Bromophenyl)azetidine hydrochloride
CID 72698861

Frequently Asked Questions

What is the IUPAC name of 3-(4-bromophenyl)-N-(4,4,4-trifluorobutan-2-yl)cyclobutan-1-amine?
The IUPAC name of 3-(4-bromophenyl)-N-(4,4,4-trifluorobutan-2-yl)cyclobutan-1-amine (CID 107167855) is 3-(4-bromophenyl)-N-(4,4,4-trifluorobutan-2-yl)cyclobutan-1-amine.
What is the SMILES notation for 3-(4-bromophenyl)-N-(4,4,4-trifluorobutan-2-yl)cyclobutan-1-amine?
The canonical SMILES for 3-(4-bromophenyl)-N-(4,4,4-trifluorobutan-2-yl)cyclobutan-1-amine is CC(CC(F)(F)F)NC1CC(c2ccc(Br)cc2)C1.
What is the InChIKey of 3-(4-bromophenyl)-N-(4,4,4-trifluorobutan-2-yl)cyclobutan-1-amine?
The InChIKey is NCCNZUJBRFMSTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrF3N/c1-9(8-14(16,17)18)19-13-6-11(7-13)10-2-4-12(15)5-3-10/h2-5,9,11,13,19H,6-8H2,1H3.
What are the key properties of 3-(4-bromophenyl)-N-(4,4,4-trifluorobutan-2-yl)cyclobutan-1-amine?
3-(4-bromophenyl)-N-(4,4,4-trifluorobutan-2-yl)cyclobutan-1-amine has a molecular weight of 336.20 g/mol, XLogP of 4.63, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromophenyl)-N-(4,4,4-trifluorobutan-2-yl)cyclobutan-1-amine is sourced from PubChem (CID 107167855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).