N-[[5-[3-fluoro-4-(trifluoromethyl)phenyl]furan-2-yl]methyl]propan-2-amine

C15H15F4NO — CID 107289724

IUPACN-[[5-[3-fluoro-4-(trifluoromethyl)phenyl]furan-2-yl]methyl]propan-2-amine
SMILESCC(C)NCc1ccc(-c2ccc(C(F)(F)F)c(F)c2)o1
InChIInChI=1S/C15H15F4NO/c1-9(2)20-8-11-4-6-14(21-11)10-3-5-12(13(16)7-10)15(17,18)19/h3-7,9,20H,8H2,1-2H3
InChIKeyPTNMZNRNLUWULM-UHFFFAOYSA-N
MW301.28 g/mol
LogP4.60
Rot. Bonds4

About N-[[5-[3-fluoro-4-(trifluoromethyl)phenyl]furan-2-yl]methyl]propan-2-amine

N-[[5-[3-fluoro-4-(trifluoromethyl)phenyl]furan-2-yl]methyl]propan-2-amine (PubChem CID 107289724) has the molecular formula C15H15F4NO and a molecular weight of 301.28 g/mol. Its IUPAC name is N-[[5-[3-fluoro-4-(trifluoromethyl)phenyl]furan-2-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[5-[3-fluoro-4-(trifluoromethyl)phenyl]furan-2-yl]methyl]propan-2-amine
PubChem CID107289724
Molecular FormulaC15H15F4NO
Molecular Weight301.28 g/mol
Exact Mass301.11
IUPAC NameN-[[5-[3-fluoro-4-(trifluoromethyl)phenyl]furan-2-yl]methyl]propan-2-amine
SMILESCC(C)NCc1ccc(-c2ccc(C(F)(F)F)c(F)c2)o1
InChIInChI=1S/C15H15F4NO/c1-9(2)20-8-11-4-6-14(21-11)10-3-5-12(13(16)7-10)15(17,18)19/h3-7,9,20H,8H2,1-2H3
InChIKeyPTNMZNRNLUWULM-UHFFFAOYSA-N
XLogP4.60
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.28
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[5-[3-fluoro-4-(trifluoromethyl)phenyl]furan-2-yl]methyl]ethanamine
CID 107289734
N-[[5-(4-bromo-3-fluorophenyl)furan-2-yl]methyl]propan-2-amine
CID 65435627
N-[[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methyl]propan-2-amine;hydrochloride
CID 17156683
N-[[3-[3-fluoro-4-(trifluoromethyl)phenyl]furan-2-yl]methyl]propan-2-amine
CID 107289722
1-[5-[4-fluoro-3-(trifluoromethyl)phenyl]furan-2-yl]-N-methylmethanamine
CID 61229603
1-[4-[5-[(propan-2-ylamino)methyl]furan-2-yl]phenyl]ethanol;hydrochloride
CID 17156433
N-[[5-[4-(trifluoromethyl)-3-pyridinyl]furan-2-yl]methyl]propan-2-amine
CID 106888255
N-[[5-[2-methyl-4-(trifluoromethyl)phenyl]furan-2-yl]methyl]propan-2-amine
CID 106888266
N-[[5-[4-(2-methylpropyl)phenyl]furan-2-yl]methyl]propan-2-amine
CID 106888608
N-[(5-quinoxalin-6-ylfuran-2-yl)methyl]propan-2-amine
CID 60961490
1-[5-[4-fluoro-3-(trifluoromethyl)phenyl]furan-2-yl]-N-methylpropan-2-amine
CID 63086504
N-[[5-(4-bromo-3,5-dimethylphenyl)furan-2-yl]methyl]propan-2-amine
CID 107577096

Frequently Asked Questions

What is the IUPAC name of N-[[5-[3-fluoro-4-(trifluoromethyl)phenyl]furan-2-yl]methyl]propan-2-amine?
The IUPAC name of N-[[5-[3-fluoro-4-(trifluoromethyl)phenyl]furan-2-yl]methyl]propan-2-amine (CID 107289724) is N-[[5-[3-fluoro-4-(trifluoromethyl)phenyl]furan-2-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[5-[3-fluoro-4-(trifluoromethyl)phenyl]furan-2-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[5-[3-fluoro-4-(trifluoromethyl)phenyl]furan-2-yl]methyl]propan-2-amine is CC(C)NCc1ccc(-c2ccc(C(F)(F)F)c(F)c2)o1.
What is the InChIKey of N-[[5-[3-fluoro-4-(trifluoromethyl)phenyl]furan-2-yl]methyl]propan-2-amine?
The InChIKey is PTNMZNRNLUWULM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F4NO/c1-9(2)20-8-11-4-6-14(21-11)10-3-5-12(13(16)7-10)15(17,18)19/h3-7,9,20H,8H2,1-2H3.
What are the key properties of N-[[5-[3-fluoro-4-(trifluoromethyl)phenyl]furan-2-yl]methyl]propan-2-amine?
N-[[5-[3-fluoro-4-(trifluoromethyl)phenyl]furan-2-yl]methyl]propan-2-amine has a molecular weight of 301.28 g/mol, XLogP of 4.60, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[3-fluoro-4-(trifluoromethyl)phenyl]furan-2-yl]methyl]propan-2-amine is sourced from PubChem (CID 107289724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).