N-[3-(furan-2-ylmethoxy)propyl]-4-(trifluoromethyl)cyclohexan-1-amine

C15H22F3NO2 — CID 64753620

IUPACN-[3-(furan-2-ylmethoxy)propyl]-4-(trifluoromethyl)cyclohexan-1-amine
SMILESFC(F)(F)C1CCC(NCCCOCc2ccco2)CC1
InChIInChI=1S/C15H22F3NO2/c16-15(17,18)12-4-6-13(7-5-12)19-8-2-9-20-11-14-3-1-10-21-14/h1,3,10,12-13,19H,2,4-9,11H2
InChIKeyFWJHXTDFPRJERA-UHFFFAOYSA-N
MW305.34 g/mol
LogP3.90
Rot. Bonds7

About N-[3-(furan-2-ylmethoxy)propyl]-4-(trifluoromethyl)cyclohexan-1-amine

N-[3-(furan-2-ylmethoxy)propyl]-4-(trifluoromethyl)cyclohexan-1-amine (PubChem CID 64753620) has the molecular formula C15H22F3NO2 and a molecular weight of 305.34 g/mol. Its IUPAC name is N-[3-(furan-2-ylmethoxy)propyl]-4-(trifluoromethyl)cyclohexan-1-amine.

Molecular Properties

Compound NameN-[3-(furan-2-ylmethoxy)propyl]-4-(trifluoromethyl)cyclohexan-1-amine
PubChem CID64753620
Molecular FormulaC15H22F3NO2
Molecular Weight305.34 g/mol
Exact Mass305.16
IUPAC NameN-[3-(furan-2-ylmethoxy)propyl]-4-(trifluoromethyl)cyclohexan-1-amine
SMILESFC(F)(F)C1CCC(NCCCOCc2ccco2)CC1
InChIInChI=1S/C15H22F3NO2/c16-15(17,18)12-4-6-13(7-5-12)19-8-2-9-20-11-14-3-1-10-21-14/h1,3,10,12-13,19H,2,4-9,11H2
InChIKeyFWJHXTDFPRJERA-UHFFFAOYSA-N
XLogP3.90
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.34
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(furan-2-ylmethoxy)propyl]-4-propylcycloheptan-1-amine
CID 65087332
N-[3-(furan-2-ylmethoxy)propyl]-1-methylpiperidin-4-amine
CID 28681139
N-(cyclopentylmethyl)-3-(furan-2-ylmethoxy)propan-1-amine
CID 62071034
N-[3-(furan-2-ylmethoxy)propyl]-5,5-dimethylthian-3-amine
CID 79956139
N-[3-(furan-2-ylmethoxy)propyl]bicyclo[2.2.1]heptan-2-amine
CID 61308016
N-[3-(furan-2-ylmethoxy)propyl]-2-methylthiolan-3-amine
CID 102671412
N-[2-(furan-2-ylmethoxy)ethyl]-3-methylcyclohexan-1-amine
CID 62565180
1-[3-(furan-2-ylmethoxy)propyl]-3-(4-hydroxycyclohexyl)urea
CID 110892535
N-[3-(furan-2-ylmethoxy)propyl]-1,2,3,4-tetrahydronaphthalen-1-amine
CID 43096825
1-[3-(furan-2-ylmethoxy)propyl]-2-methyl-3-[3-(2,2,2-trifluoroethoxy)propyl]guanidine
CID 111400033
1-(cyclopropylmethyl)-3-[3-(furan-2-ylmethoxy)propyl]-2-methylguanidine
CID 111398997
2-[2-[2-[2-[2-(furan-2-ylmethoxy)ethoxy]ethoxy]ethoxy]ethoxymethyl]furan
CID 102488556

Frequently Asked Questions

What is the IUPAC name of N-[3-(furan-2-ylmethoxy)propyl]-4-(trifluoromethyl)cyclohexan-1-amine?
The IUPAC name of N-[3-(furan-2-ylmethoxy)propyl]-4-(trifluoromethyl)cyclohexan-1-amine (CID 64753620) is N-[3-(furan-2-ylmethoxy)propyl]-4-(trifluoromethyl)cyclohexan-1-amine.
What is the SMILES notation for N-[3-(furan-2-ylmethoxy)propyl]-4-(trifluoromethyl)cyclohexan-1-amine?
The canonical SMILES for N-[3-(furan-2-ylmethoxy)propyl]-4-(trifluoromethyl)cyclohexan-1-amine is FC(F)(F)C1CCC(NCCCOCc2ccco2)CC1.
What is the InChIKey of N-[3-(furan-2-ylmethoxy)propyl]-4-(trifluoromethyl)cyclohexan-1-amine?
The InChIKey is FWJHXTDFPRJERA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22F3NO2/c16-15(17,18)12-4-6-13(7-5-12)19-8-2-9-20-11-14-3-1-10-21-14/h1,3,10,12-13,19H,2,4-9,11H2.
What are the key properties of N-[3-(furan-2-ylmethoxy)propyl]-4-(trifluoromethyl)cyclohexan-1-amine?
N-[3-(furan-2-ylmethoxy)propyl]-4-(trifluoromethyl)cyclohexan-1-amine has a molecular weight of 305.34 g/mol, XLogP of 3.90, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(furan-2-ylmethoxy)propyl]-4-(trifluoromethyl)cyclohexan-1-amine is sourced from PubChem (CID 64753620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).