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

C15H15F4NO — CID 107289722

IUPACN-[[3-[3-fluoro-4-(trifluoromethyl)phenyl]furan-2-yl]methyl]propan-2-amine
SMILESCC(C)NCc1occc1-c1ccc(C(F)(F)F)c(F)c1
InChIInChI=1S/C15H15F4NO/c1-9(2)20-8-14-11(5-6-21-14)10-3-4-12(13(16)7-10)15(17,18)19/h3-7,9,20H,8H2,1-2H3
InChIKeyVVCUWPBQSQSFER-UHFFFAOYSA-N
MW301.28 g/mol
LogP4.60
Rot. Bonds4

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

N-[[3-[3-fluoro-4-(trifluoromethyl)phenyl]furan-2-yl]methyl]propan-2-amine (PubChem CID 107289722) has the molecular formula C15H15F4NO and a molecular weight of 301.28 g/mol. Its IUPAC name is N-[[3-[3-fluoro-4-(trifluoromethyl)phenyl]furan-2-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[3-[3-fluoro-4-(trifluoromethyl)phenyl]furan-2-yl]methyl]propan-2-amine
PubChem CID107289722
Molecular FormulaC15H15F4NO
Molecular Weight301.28 g/mol
Exact Mass301.11
IUPAC NameN-[[3-[3-fluoro-4-(trifluoromethyl)phenyl]furan-2-yl]methyl]propan-2-amine
SMILESCC(C)NCc1occc1-c1ccc(C(F)(F)F)c(F)c1
InChIInChI=1S/C15H15F4NO/c1-9(2)20-8-14-11(5-6-21-14)10-3-4-12(13(16)7-10)15(17,18)19/h3-7,9,20H,8H2,1-2H3
InChIKeyVVCUWPBQSQSFER-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-[[3-[3-(trifluoromethyl)phenyl]furan-2-yl]methyl]propan-2-amine
CID 106887042
N-[[5-[3-fluoro-4-(trifluoromethyl)phenyl]furan-2-yl]methyl]propan-2-amine
CID 107289724
N-[[3-(2-fluorophenyl)furan-2-yl]methyl]propan-2-amine
CID 106887009
N,N-dimethyl-4-[2-[(propan-2-ylamino)methyl]furan-3-yl]aniline
CID 106886715
N-[[3-(3-chloro-4-methoxyphenyl)furan-2-yl]methyl]propan-2-amine
CID 106888680
3-fluoro-5-[2-[(propan-2-ylamino)methyl]furan-3-yl]benzonitrile
CID 106887474
N-[(3-pyrimidin-5-ylfuran-2-yl)methyl]propan-2-amine
CID 106887002
1-[3-(3-fluoro-4-methylphenyl)furan-2-yl]-N-methylmethanamine
CID 106887791
N-[[3-(3-fluoro-4-pyridinyl)furan-2-yl]methyl]propan-2-amine
CID 106887993
N-[[3-(3-nitrophenyl)furan-2-yl]methyl]propan-2-amine
CID 106886933
N-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]propan-2-amine
CID 167531090
1-[3-(4-fluoro-3-methylphenyl)furan-2-yl]-N-methylmethanamine
CID 106886849

Frequently Asked Questions

What is the IUPAC name of N-[[3-[3-fluoro-4-(trifluoromethyl)phenyl]furan-2-yl]methyl]propan-2-amine?
The IUPAC name of N-[[3-[3-fluoro-4-(trifluoromethyl)phenyl]furan-2-yl]methyl]propan-2-amine (CID 107289722) is N-[[3-[3-fluoro-4-(trifluoromethyl)phenyl]furan-2-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[3-[3-fluoro-4-(trifluoromethyl)phenyl]furan-2-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[3-[3-fluoro-4-(trifluoromethyl)phenyl]furan-2-yl]methyl]propan-2-amine is CC(C)NCc1occc1-c1ccc(C(F)(F)F)c(F)c1.
What is the InChIKey of N-[[3-[3-fluoro-4-(trifluoromethyl)phenyl]furan-2-yl]methyl]propan-2-amine?
The InChIKey is VVCUWPBQSQSFER-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F4NO/c1-9(2)20-8-14-11(5-6-21-14)10-3-4-12(13(16)7-10)15(17,18)19/h3-7,9,20H,8H2,1-2H3.
What are the key properties of N-[[3-[3-fluoro-4-(trifluoromethyl)phenyl]furan-2-yl]methyl]propan-2-amine?
N-[[3-[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-[[3-[3-fluoro-4-(trifluoromethyl)phenyl]furan-2-yl]methyl]propan-2-amine is sourced from PubChem (CID 107289722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).