1-(oxolan-2-yl)-N-[[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methyl]methanamine;hydrochloride

C17H19ClF3NO2 — CID 17151637

IUPAC1-(oxolan-2-yl)-N-[[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methyl]methanamine;hydrochloride
SMILESCl.FC(F)(F)c1cccc(-c2ccc(CNCC3CCCO3)o2)c1
InChIInChI=1S/C17H18F3NO2.ClH/c18-17(19,20)13-4-1-3-12(9-13)16-7-6-15(23-16)11-21-10-14-5-2-8-22-14;/h1,3-4,6-7,9,14,21H,2,5,8,10-11H2;1H
InChIKeyUTRZNHGXWDTKAD-UHFFFAOYSA-N
MW361.79 g/mol
LogP4.66
Rot. Bonds5

About 1-(oxolan-2-yl)-N-[[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methyl]methanamine;hydrochloride

1-(oxolan-2-yl)-N-[[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methyl]methanamine;hydrochloride (PubChem CID 17151637) has the molecular formula C17H19ClF3NO2 and a molecular weight of 361.79 g/mol. Its IUPAC name is 1-(oxolan-2-yl)-N-[[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methyl]methanamine;hydrochloride.

Molecular Properties

Compound Name1-(oxolan-2-yl)-N-[[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methyl]methanamine;hydrochloride
PubChem CID17151637
Molecular FormulaC17H19ClF3NO2
Molecular Weight361.79 g/mol
Exact Mass361.11
IUPAC Name1-(oxolan-2-yl)-N-[[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methyl]methanamine;hydrochloride
SMILESCl.FC(F)(F)c1cccc(-c2ccc(CNCC3CCCO3)o2)c1
InChIInChI=1S/C17H18F3NO2.ClH/c18-17(19,20)13-4-1-3-12(9-13)16-7-6-15(23-16)11-21-10-14-5-2-8-22-14;/h1,3-4,6-7,9,14,21H,2,5,8,10-11H2;1H
InChIKeyUTRZNHGXWDTKAD-UHFFFAOYSA-N
XLogP4.66
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.79
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(oxolan-2-yl)-N-[[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methyl]methanamine;hydrochloride with MolForge

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Related Compounds

3-[5-[(oxolan-2-ylmethylamino)methyl]furan-2-yl]benzoic acid;hydrochloride
CID 17212805
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4-[5-[(oxolan-2-ylmethylamino)methyl]furan-2-yl]benzoic acid
CID 17056052
N-[[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methyl]propan-2-amine;hydrochloride
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CID 17210670
3-morpholin-4-yl-N-[[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methyl]propan-1-amine;dihydrochloride
CID 17195962
methyl 4-[5-[[[(2S)-oxolan-2-yl]methylamino]methyl]furan-2-yl]benzoate
CID 8636615
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N-[(Z)-3-oxo-3-(oxolan-2-ylmethylamino)-1-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]prop-1-en-2-yl]benzamide
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(3S)-1,1-dioxo-N-[[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methyl]thiolan-3-amine
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1-(oxolan-2-yl)-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]methanamine
CID 114908402
N-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methyl]-1-(oxolan-2-yl)methanamine;hydrochloride
CID 71685865

Frequently Asked Questions

What is the IUPAC name of 1-(oxolan-2-yl)-N-[[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methyl]methanamine;hydrochloride?
The IUPAC name of 1-(oxolan-2-yl)-N-[[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methyl]methanamine;hydrochloride (CID 17151637) is 1-(oxolan-2-yl)-N-[[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methyl]methanamine;hydrochloride.
What is the SMILES notation for 1-(oxolan-2-yl)-N-[[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methyl]methanamine;hydrochloride?
The canonical SMILES for 1-(oxolan-2-yl)-N-[[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methyl]methanamine;hydrochloride is Cl.FC(F)(F)c1cccc(-c2ccc(CNCC3CCCO3)o2)c1.
What is the InChIKey of 1-(oxolan-2-yl)-N-[[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methyl]methanamine;hydrochloride?
The InChIKey is UTRZNHGXWDTKAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F3NO2.ClH/c18-17(19,20)13-4-1-3-12(9-13)16-7-6-15(23-16)11-21-10-14-5-2-8-22-14;/h1,3-4,6-7,9,14,21H,2,5,8,10-11H2;1H.
What are the key properties of 1-(oxolan-2-yl)-N-[[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methyl]methanamine;hydrochloride?
1-(oxolan-2-yl)-N-[[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methyl]methanamine;hydrochloride has a molecular weight of 361.79 g/mol, XLogP of 4.66, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxolan-2-yl)-N-[[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methyl]methanamine;hydrochloride is sourced from PubChem (CID 17151637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).