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

C14H17BrF3N — CID 115516190

IUPAC3-(2-bromophenyl)-N-(4,4,4-trifluorobutyl)cyclobutan-1-amine
SMILESFC(F)(F)CCCNC1CC(c2ccccc2Br)C1
InChIInChI=1S/C14H17BrF3N/c15-13-5-2-1-4-12(13)10-8-11(9-10)19-7-3-6-14(16,17)18/h1-2,4-5,10-11,19H,3,6-9H2
InChIKeyNIUAOTPWEVAXSZ-UHFFFAOYSA-N
MW336.20 g/mol
LogP4.63
Rot. Bonds5

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

3-(2-bromophenyl)-N-(4,4,4-trifluorobutyl)cyclobutan-1-amine (PubChem CID 115516190) has the molecular formula C14H17BrF3N and a molecular weight of 336.20 g/mol. Its IUPAC name is 3-(2-bromophenyl)-N-(4,4,4-trifluorobutyl)cyclobutan-1-amine.

Molecular Properties

Compound Name3-(2-bromophenyl)-N-(4,4,4-trifluorobutyl)cyclobutan-1-amine
PubChem CID115516190
Molecular FormulaC14H17BrF3N
Molecular Weight336.20 g/mol
Exact Mass335.05
IUPAC Name3-(2-bromophenyl)-N-(4,4,4-trifluorobutyl)cyclobutan-1-amine
SMILESFC(F)(F)CCCNC1CC(c2ccccc2Br)C1
InChIInChI=1S/C14H17BrF3N/c15-13-5-2-1-4-12(13)10-8-11(9-10)19-7-3-6-14(16,17)18/h1-2,4-5,10-11,19H,3,6-9H2
InChIKeyNIUAOTPWEVAXSZ-UHFFFAOYSA-N
XLogP4.63
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-phenyl-N-(4,4,4-trifluorobutyl)cyclobutan-1-amine
CID 115516339
3-(2-bromophenyl)-N-(3-cyclopentylpropyl)cyclobutan-1-amine
CID 106009029
6-[[3-(2-bromophenyl)cyclobutyl]amino]hexan-1-ol
CID 107849622
3-(2-methoxyphenyl)-N-(5,5,5-trifluoropentyl)cyclobutan-1-amine
CID 115516703
N-[3-[[3-(2-bromophenyl)cyclobutyl]amino]propyl]methanesulfonamide
CID 106333342
3-(2-bromophenyl)-N-(3-propoxypropyl)cyclobutan-1-amine
CID 82940585
3-(2-bromophenyl)-N-[2-(2-fluorophenyl)ethyl]cyclobutan-1-amine
CID 43633263
1-[[3-(2-bromophenyl)cyclobutyl]amino]pentan-3-ol
CID 113497556
3-(2-bromophenyl)-N-[2-(furan-2-yl)ethyl]cyclobutan-1-amine
CID 43635490
3-(2-bromophenyl)-N-(2-thiophen-2-ylethyl)cyclobutan-1-amine
CID 43633671
3-(2-bromophenyl)-N-(2-cyclopentyloxyethyl)cyclobutan-1-amine
CID 63824048
3-(2-bromophenyl)-N-(3-methylbut-2-enyl)cyclobutan-1-amine
CID 106181318

Frequently Asked Questions

What is the IUPAC name of 3-(2-bromophenyl)-N-(4,4,4-trifluorobutyl)cyclobutan-1-amine?
The IUPAC name of 3-(2-bromophenyl)-N-(4,4,4-trifluorobutyl)cyclobutan-1-amine (CID 115516190) is 3-(2-bromophenyl)-N-(4,4,4-trifluorobutyl)cyclobutan-1-amine.
What is the SMILES notation for 3-(2-bromophenyl)-N-(4,4,4-trifluorobutyl)cyclobutan-1-amine?
The canonical SMILES for 3-(2-bromophenyl)-N-(4,4,4-trifluorobutyl)cyclobutan-1-amine is FC(F)(F)CCCNC1CC(c2ccccc2Br)C1.
What is the InChIKey of 3-(2-bromophenyl)-N-(4,4,4-trifluorobutyl)cyclobutan-1-amine?
The InChIKey is NIUAOTPWEVAXSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrF3N/c15-13-5-2-1-4-12(13)10-8-11(9-10)19-7-3-6-14(16,17)18/h1-2,4-5,10-11,19H,3,6-9H2.
What are the key properties of 3-(2-bromophenyl)-N-(4,4,4-trifluorobutyl)cyclobutan-1-amine?
3-(2-bromophenyl)-N-(4,4,4-trifluorobutyl)cyclobutan-1-amine has a molecular weight of 336.20 g/mol, XLogP of 4.63, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-bromophenyl)-N-(4,4,4-trifluorobutyl)cyclobutan-1-amine is sourced from PubChem (CID 115516190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).