N-[[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methyl]propan-2-amine;hydrochloride

C15H17ClF3NO — CID 17156683

IUPACN-[[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methyl]propan-2-amine;hydrochloride
SMILESCC(C)NCc1ccc(-c2cccc(C(F)(F)F)c2)o1.Cl
InChIInChI=1S/C15H16F3NO.ClH/c1-10(2)19-9-13-6-7-14(20-13)11-4-3-5-12(8-11)15(16,17)18;/h3-8,10,19H,9H2,1-2H3;1H
InChIKeyFFVMFIXVPPFCNN-UHFFFAOYSA-N
MW319.75 g/mol
LogP4.89
Rot. Bonds4

About N-[[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methyl]propan-2-amine;hydrochloride

N-[[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methyl]propan-2-amine;hydrochloride (PubChem CID 17156683) has the molecular formula C15H17ClF3NO and a molecular weight of 319.75 g/mol. Its IUPAC name is N-[[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methyl]propan-2-amine;hydrochloride.

Molecular Properties

Compound NameN-[[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methyl]propan-2-amine;hydrochloride
PubChem CID17156683
Molecular FormulaC15H17ClF3NO
Molecular Weight319.75 g/mol
Exact Mass319.10
IUPAC NameN-[[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methyl]propan-2-amine;hydrochloride
SMILESCC(C)NCc1ccc(-c2cccc(C(F)(F)F)c2)o1.Cl
InChIInChI=1S/C15H16F3NO.ClH/c1-10(2)19-9-13-6-7-14(20-13)11-4-3-5-12(8-11)15(16,17)18;/h3-8,10,19H,9H2,1-2H3;1H
InChIKeyFFVMFIXVPPFCNN-UHFFFAOYSA-N
XLogP4.89
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.75
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-methyl-N-[[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methyl]butan-1-amine;hydrochloride
CID 17210670
(2R)-3-methyl-2-[[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methylamino]butanoic acid
CID 99124828
N-methyl-1-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]propan-2-amine
CID 63086320
N-[[5-[2-methyl-4-(trifluoromethyl)phenyl]furan-2-yl]methyl]propan-2-amine
CID 106888266
N-[[5-[3-fluoro-4-(trifluoromethyl)phenyl]furan-2-yl]methyl]propan-2-amine
CID 107289724
1-(oxolan-2-yl)-N-[[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methyl]methanamine;hydrochloride
CID 17151637
N-[[3-[3-(trifluoromethyl)phenyl]furan-2-yl]methyl]propan-2-amine
CID 106887042
1-[4-[5-[(propan-2-ylamino)methyl]furan-2-yl]phenyl]ethanol;hydrochloride
CID 17156433
N-[(5-pyridin-3-ylfuran-2-yl)methyl]propan-2-amine
CID 103625236
N-[(1-methylimidazol-2-yl)methyl]-1-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methanamine
CID 75519213
2-[methyl-[[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methyl]amino]propanoic acid
CID 122036729
3-morpholin-4-yl-N-[[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methyl]propan-1-amine;dihydrochloride
CID 17195962

Frequently Asked Questions

What is the IUPAC name of N-[[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methyl]propan-2-amine;hydrochloride?
The IUPAC name of N-[[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methyl]propan-2-amine;hydrochloride (CID 17156683) is N-[[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methyl]propan-2-amine;hydrochloride.
What is the SMILES notation for N-[[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methyl]propan-2-amine;hydrochloride?
The canonical SMILES for N-[[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methyl]propan-2-amine;hydrochloride is CC(C)NCc1ccc(-c2cccc(C(F)(F)F)c2)o1.Cl.
What is the InChIKey of N-[[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methyl]propan-2-amine;hydrochloride?
The InChIKey is FFVMFIXVPPFCNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F3NO.ClH/c1-10(2)19-9-13-6-7-14(20-13)11-4-3-5-12(8-11)15(16,17)18;/h3-8,10,19H,9H2,1-2H3;1H.
What are the key properties of N-[[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methyl]propan-2-amine;hydrochloride?
N-[[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methyl]propan-2-amine;hydrochloride has a molecular weight of 319.75 g/mol, XLogP of 4.89, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methyl]propan-2-amine;hydrochloride is sourced from PubChem (CID 17156683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).