N-[(5-bromofuran-2-yl)methyl]-3-(trifluoromethyl)cyclohexan-1-amine

C12H15BrF3NO — CID 43747402

IUPACN-[(5-bromofuran-2-yl)methyl]-3-(trifluoromethyl)cyclohexan-1-amine
SMILESFC(F)(F)C1CCCC(NCc2ccc(Br)o2)C1
InChIInChI=1S/C12H15BrF3NO/c13-11-5-4-10(18-11)7-17-9-3-1-2-8(6-9)12(14,15)16/h4-5,8-9,17H,1-3,6-7H2
InChIKeyIFYMUFYGXVUBGS-UHFFFAOYSA-N
MW326.16 g/mol
LogP4.25
Rot. Bonds3

About N-[(5-bromofuran-2-yl)methyl]-3-(trifluoromethyl)cyclohexan-1-amine

N-[(5-bromofuran-2-yl)methyl]-3-(trifluoromethyl)cyclohexan-1-amine (PubChem CID 43747402) has the molecular formula C12H15BrF3NO and a molecular weight of 326.16 g/mol. Its IUPAC name is N-[(5-bromofuran-2-yl)methyl]-3-(trifluoromethyl)cyclohexan-1-amine.

Molecular Properties

Compound NameN-[(5-bromofuran-2-yl)methyl]-3-(trifluoromethyl)cyclohexan-1-amine
PubChem CID43747402
Molecular FormulaC12H15BrF3NO
Molecular Weight326.16 g/mol
Exact Mass325.03
IUPAC NameN-[(5-bromofuran-2-yl)methyl]-3-(trifluoromethyl)cyclohexan-1-amine
SMILESFC(F)(F)C1CCCC(NCc2ccc(Br)o2)C1
InChIInChI=1S/C12H15BrF3NO/c13-11-5-4-10(18-11)7-17-9-3-1-2-8(6-9)12(14,15)16/h4-5,8-9,17H,1-3,6-7H2
InChIKeyIFYMUFYGXVUBGS-UHFFFAOYSA-N
XLogP4.25
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.16
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1,2-oxazol-5-ylmethyl)-3-(trifluoromethyl)cyclohexan-1-amine
CID 106415094
N-[(5-bromofuran-2-yl)methyl]-3-methylsulfanylcyclohexan-1-amine
CID 103527317
N-[(3-bromo-4-methylphenyl)methyl]-3-(trifluoromethyl)cyclohexan-1-amine
CID 105401359
N-[(2-ethylpyrazol-3-yl)methyl]-3-(trifluoromethyl)cyclohexan-1-amine
CID 115761677
[3-[[[3-(trifluoromethyl)cyclohexyl]amino]methyl]phenyl]methanol
CID 102609613
5-bromo-N-[4-[2-oxo-2-[[3-(trifluoromethyl)cyclohexyl]amino]ethyl]phenyl]furan-2-carboxamide
CID 55790893
N-[(5-bromofuran-2-yl)methyl]-2,3-dihydro-1H-inden-2-amine
CID 113268596
methyl 5-[[[3-(trifluoromethyl)cyclohexyl]amino]methyl]furan-3-carboxylate
CID 104585934
N-[(2,2-dimethylcyclopropyl)methyl]-3-(trifluoromethyl)cyclohexan-1-amine
CID 102609637
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3-(trifluoromethyl)cyclohexan-1-amine
CID 64757393
N-[(2-nitrophenyl)methyl]-3-(trifluoromethyl)cyclohexan-1-amine
CID 43747379
N-[(5-bromofuran-2-yl)methyl]-1-pyrimidin-2-ylpiperidin-4-amine
CID 43675593

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromofuran-2-yl)methyl]-3-(trifluoromethyl)cyclohexan-1-amine?
The IUPAC name of N-[(5-bromofuran-2-yl)methyl]-3-(trifluoromethyl)cyclohexan-1-amine (CID 43747402) is N-[(5-bromofuran-2-yl)methyl]-3-(trifluoromethyl)cyclohexan-1-amine.
What is the SMILES notation for N-[(5-bromofuran-2-yl)methyl]-3-(trifluoromethyl)cyclohexan-1-amine?
The canonical SMILES for N-[(5-bromofuran-2-yl)methyl]-3-(trifluoromethyl)cyclohexan-1-amine is FC(F)(F)C1CCCC(NCc2ccc(Br)o2)C1.
What is the InChIKey of N-[(5-bromofuran-2-yl)methyl]-3-(trifluoromethyl)cyclohexan-1-amine?
The InChIKey is IFYMUFYGXVUBGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrF3NO/c13-11-5-4-10(18-11)7-17-9-3-1-2-8(6-9)12(14,15)16/h4-5,8-9,17H,1-3,6-7H2.
What are the key properties of N-[(5-bromofuran-2-yl)methyl]-3-(trifluoromethyl)cyclohexan-1-amine?
N-[(5-bromofuran-2-yl)methyl]-3-(trifluoromethyl)cyclohexan-1-amine has a molecular weight of 326.16 g/mol, XLogP of 4.25, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromofuran-2-yl)methyl]-3-(trifluoromethyl)cyclohexan-1-amine is sourced from PubChem (CID 43747402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).