N-[[3-methyl-5-(3,3,3-trifluoropropoxymethyl)furan-2-yl]methyl]cyclopropanamine

C13H18F3NO2 — CID 82956792

IUPACN-[[3-methyl-5-(3,3,3-trifluoropropoxymethyl)furan-2-yl]methyl]cyclopropanamine
SMILESCc1cc(COCCC(F)(F)F)oc1CNC1CC1
InChIInChI=1S/C13H18F3NO2/c1-9-6-11(8-18-5-4-13(14,15)16)19-12(9)7-17-10-2-3-10/h6,10,17H,2-5,7-8H2,1H3
InChIKeyBSOZFSFDJYOCID-UHFFFAOYSA-N
MW277.29 g/mol
LogP3.31
Rot. Bonds7

About N-[[3-methyl-5-(3,3,3-trifluoropropoxymethyl)furan-2-yl]methyl]cyclopropanamine

N-[[3-methyl-5-(3,3,3-trifluoropropoxymethyl)furan-2-yl]methyl]cyclopropanamine (PubChem CID 82956792) has the molecular formula C13H18F3NO2 and a molecular weight of 277.29 g/mol. Its IUPAC name is N-[[3-methyl-5-(3,3,3-trifluoropropoxymethyl)furan-2-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[3-methyl-5-(3,3,3-trifluoropropoxymethyl)furan-2-yl]methyl]cyclopropanamine
PubChem CID82956792
Molecular FormulaC13H18F3NO2
Molecular Weight277.29 g/mol
Exact Mass277.13
IUPAC NameN-[[3-methyl-5-(3,3,3-trifluoropropoxymethyl)furan-2-yl]methyl]cyclopropanamine
SMILESCc1cc(COCCC(F)(F)F)oc1CNC1CC1
InChIInChI=1S/C13H18F3NO2/c1-9-6-11(8-18-5-4-13(14,15)16)19-12(9)7-17-10-2-3-10/h6,10,17H,2-5,7-8H2,1H3
InChIKeyBSOZFSFDJYOCID-UHFFFAOYSA-N
XLogP3.31
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.29
LogP ≤ 53.31
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-[[5-[(3,5-dimethylphenoxy)methyl]-3-methylfuran-2-yl]methyl]cyclopropanamine
CID 62453241
N-[[5-(cyclohexyloxymethyl)-3-methylfuran-2-yl]methyl]cyclopropanamine
CID 62445952
N-[[5-[(3,5-difluorophenoxy)methyl]-3-methylfuran-2-yl]methyl]cyclopropanamine
CID 62784534
N-[[3-methyl-5-(oxolan-3-ylmethoxymethyl)furan-2-yl]methyl]cyclopropanamine
CID 62486326
N-[[5-[(dimethylamino)methyl]-3-methylfuran-2-yl]methyl]cyclopropanamine
CID 62418013
N-[[3-methyl-5-(phenoxymethyl)furan-2-yl]methyl]cyclopropanamine
CID 62453447
N-[[5-[(5-fluoro-2-methylphenoxy)methyl]-3-methylfuran-2-yl]methyl]cyclopropanamine
CID 102986645
N-[[5-[(2,5-dimethylphenoxy)methyl]-3-methylfuran-2-yl]methyl]cyclopropanamine
CID 62453224
N-[[5-[(2-bromo-4-methylphenoxy)methyl]-3-methylfuran-2-yl]methyl]cyclopropanamine
CID 62460870
1-[5-(2-cyclobutylethoxymethyl)-3-methylfuran-2-yl]-N-methylmethanamine
CID 106206153
N-[[5-(4,4,4-trifluorobutoxymethyl)-1,2-oxazol-3-yl]methyl]cyclopropanamine
CID 82792305
N-[[4-(3,3-dimethylbutoxymethyl)-5-methylfuran-2-yl]methyl]cyclopropanamine
CID 66226191

Frequently Asked Questions

What is the IUPAC name of N-[[3-methyl-5-(3,3,3-trifluoropropoxymethyl)furan-2-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[3-methyl-5-(3,3,3-trifluoropropoxymethyl)furan-2-yl]methyl]cyclopropanamine (CID 82956792) is N-[[3-methyl-5-(3,3,3-trifluoropropoxymethyl)furan-2-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[3-methyl-5-(3,3,3-trifluoropropoxymethyl)furan-2-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[3-methyl-5-(3,3,3-trifluoropropoxymethyl)furan-2-yl]methyl]cyclopropanamine is Cc1cc(COCCC(F)(F)F)oc1CNC1CC1.
What is the InChIKey of N-[[3-methyl-5-(3,3,3-trifluoropropoxymethyl)furan-2-yl]methyl]cyclopropanamine?
The InChIKey is BSOZFSFDJYOCID-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F3NO2/c1-9-6-11(8-18-5-4-13(14,15)16)19-12(9)7-17-10-2-3-10/h6,10,17H,2-5,7-8H2,1H3.
What are the key properties of N-[[3-methyl-5-(3,3,3-trifluoropropoxymethyl)furan-2-yl]methyl]cyclopropanamine?
N-[[3-methyl-5-(3,3,3-trifluoropropoxymethyl)furan-2-yl]methyl]cyclopropanamine has a molecular weight of 277.29 g/mol, XLogP of 3.31, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-methyl-5-(3,3,3-trifluoropropoxymethyl)furan-2-yl]methyl]cyclopropanamine is sourced from PubChem (CID 82956792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).