1-[5-[2-(trifluoromethyl)phenyl]furan-2-yl]butan-2-amine;hydrochloride

C15H17ClF3NO — CID 170889105

IUPAC1-[5-[2-(trifluoromethyl)phenyl]furan-2-yl]butan-2-amine;hydrochloride
SMILESCCC(N)Cc1ccc(-c2ccccc2C(F)(F)F)o1.Cl
InChIInChI=1S/C15H16F3NO.ClH/c1-2-10(19)9-11-7-8-14(20-11)12-5-3-4-6-13(12)15(16,17)18;/h3-8,10H,2,9,19H2,1H3;1H
InChIKeyGTGMDYHJXANHDX-UHFFFAOYSA-N
MW319.75 g/mol
LogP4.67
Rot. Bonds4

About 1-[5-[2-(trifluoromethyl)phenyl]furan-2-yl]butan-2-amine;hydrochloride

1-[5-[2-(trifluoromethyl)phenyl]furan-2-yl]butan-2-amine;hydrochloride (PubChem CID 170889105) has the molecular formula C15H17ClF3NO and a molecular weight of 319.75 g/mol. Its IUPAC name is 1-[5-[2-(trifluoromethyl)phenyl]furan-2-yl]butan-2-amine;hydrochloride.

Molecular Properties

Compound Name1-[5-[2-(trifluoromethyl)phenyl]furan-2-yl]butan-2-amine;hydrochloride
PubChem CID170889105
Molecular FormulaC15H17ClF3NO
Molecular Weight319.75 g/mol
Exact Mass319.10
IUPAC Name1-[5-[2-(trifluoromethyl)phenyl]furan-2-yl]butan-2-amine;hydrochloride
SMILESCCC(N)Cc1ccc(-c2ccccc2C(F)(F)F)o1.Cl
InChIInChI=1S/C15H16F3NO.ClH/c1-2-10(19)9-11-7-8-14(20-11)12-5-3-4-6-13(12)15(16,17)18;/h3-8,10H,2,9,19H2,1H3;1H
InChIKeyGTGMDYHJXANHDX-UHFFFAOYSA-N
XLogP4.67
TPSA39.16 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 ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[5-[2-chloro-5-(trifluoromethyl)phenyl]furan-2-yl]butan-2-amine
CID 170889110
1-[5-[2-(trifluoromethyl)phenyl]furan-2-yl]propan-1-ol
CID 55097829
N-[[5-[2-(trifluoromethyl)phenyl]furan-2-yl]methyl]propan-1-amine
CID 43624682
3-[5-[2-(trifluoromethyl)phenyl]furan-2-yl]propan-1-ol
CID 170887550
1-[5-[2-(trifluoromethyl)phenyl]furan-2-yl]ethanol
CID 62500368
N-[1-[5-[2-(trifluoromethyl)phenyl]furan-2-yl]ethyl]propan-1-amine
CID 63398964
3-amino-N-cyclopropyl-N-[[5-[2-(trifluoromethyl)phenyl]furan-2-yl]methyl]propanamide;hydrochloride
CID 119303213
1-[5-(3,4-dichlorophenyl)furan-2-yl]butan-2-amine
CID 170889125
[5-(2-aminobutyl)furan-2-yl]methanol
CID 170888411
2-[[5-[2-(trifluoromethyl)phenyl]furan-2-yl]methyl]-1-benzofuran-3,6,7-triol
CID 91415917
1-[5-(2-bromophenyl)furan-2-yl]propan-2-amine
CID 63084768
1-[2-[2-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]propan-2-amine
CID 115091866

Frequently Asked Questions

What is the IUPAC name of 1-[5-[2-(trifluoromethyl)phenyl]furan-2-yl]butan-2-amine;hydrochloride?
The IUPAC name of 1-[5-[2-(trifluoromethyl)phenyl]furan-2-yl]butan-2-amine;hydrochloride (CID 170889105) is 1-[5-[2-(trifluoromethyl)phenyl]furan-2-yl]butan-2-amine;hydrochloride.
What is the SMILES notation for 1-[5-[2-(trifluoromethyl)phenyl]furan-2-yl]butan-2-amine;hydrochloride?
The canonical SMILES for 1-[5-[2-(trifluoromethyl)phenyl]furan-2-yl]butan-2-amine;hydrochloride is CCC(N)Cc1ccc(-c2ccccc2C(F)(F)F)o1.Cl.
What is the InChIKey of 1-[5-[2-(trifluoromethyl)phenyl]furan-2-yl]butan-2-amine;hydrochloride?
The InChIKey is GTGMDYHJXANHDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F3NO.ClH/c1-2-10(19)9-11-7-8-14(20-11)12-5-3-4-6-13(12)15(16,17)18;/h3-8,10H,2,9,19H2,1H3;1H.
What are the key properties of 1-[5-[2-(trifluoromethyl)phenyl]furan-2-yl]butan-2-amine;hydrochloride?
1-[5-[2-(trifluoromethyl)phenyl]furan-2-yl]butan-2-amine;hydrochloride has a molecular weight of 319.75 g/mol, XLogP of 4.67, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[2-(trifluoromethyl)phenyl]furan-2-yl]butan-2-amine;hydrochloride is sourced from PubChem (CID 170889105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).