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

C15H16F3NO — CID 106887042

IUPACN-[[3-[3-(trifluoromethyl)phenyl]furan-2-yl]methyl]propan-2-amine
SMILESCC(C)NCc1occc1-c1cccc(C(F)(F)F)c1
InChIInChI=1S/C15H16F3NO/c1-10(2)19-9-14-13(6-7-20-14)11-4-3-5-12(8-11)15(16,17)18/h3-8,10,19H,9H2,1-2H3
InChIKeyPRRPWQCHTRZIGV-UHFFFAOYSA-N
MW283.29 g/mol
LogP4.46
Rot. Bonds4

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

N-[[3-[3-(trifluoromethyl)phenyl]furan-2-yl]methyl]propan-2-amine (PubChem CID 106887042) has the molecular formula C15H16F3NO and a molecular weight of 283.29 g/mol. Its IUPAC name is N-[[3-[3-(trifluoromethyl)phenyl]furan-2-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[3-[3-(trifluoromethyl)phenyl]furan-2-yl]methyl]propan-2-amine
PubChem CID106887042
Molecular FormulaC15H16F3NO
Molecular Weight283.29 g/mol
Exact Mass283.12
IUPAC NameN-[[3-[3-(trifluoromethyl)phenyl]furan-2-yl]methyl]propan-2-amine
SMILESCC(C)NCc1occc1-c1cccc(C(F)(F)F)c1
InChIInChI=1S/C15H16F3NO/c1-10(2)19-9-14-13(6-7-20-14)11-4-3-5-12(8-11)15(16,17)18/h3-8,10,19H,9H2,1-2H3
InChIKeyPRRPWQCHTRZIGV-UHFFFAOYSA-N
XLogP4.46
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.29
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[3-(3-nitrophenyl)furan-2-yl]methyl]propan-2-amine
CID 106886933
N-[[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methyl]propan-2-amine;hydrochloride
CID 17156683
N-[[3-(3-chloro-4-methoxyphenyl)furan-2-yl]methyl]propan-2-amine
CID 106888680
N-methyl-1-[3-[4-(trifluoromethyl)phenyl]furan-2-yl]methanamine
CID 106886792
3-fluoro-5-[2-[(propan-2-ylamino)methyl]furan-3-yl]benzonitrile
CID 106887474
N-[[4-methyl-2-[3-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 62403385
N-[[3-(1,1-difluoroethyl)phenyl]methyl]propan-2-amine
CID 116992438
N-[[3-(7-chloro-1-benzofuran-2-yl)furan-2-yl]methyl]propan-2-amine
CID 106888206
1-[3-(3-bromophenyl)furan-2-yl]-N-methylmethanamine
CID 106887821
N-[2-[3-(trifluoromethyl)phenyl]sulfanylethyl]propan-2-amine
CID 60683062
N-[(3-bromofuran-2-yl)methyl]-3-(trifluoromethyl)aniline
CID 106885045
2-methyl-1-(propan-2-ylamino)-3-[3-(trifluoromethyl)phenyl]propan-2-ol
CID 66037251

Frequently Asked Questions

What is the IUPAC name of N-[[3-[3-(trifluoromethyl)phenyl]furan-2-yl]methyl]propan-2-amine?
The IUPAC name of N-[[3-[3-(trifluoromethyl)phenyl]furan-2-yl]methyl]propan-2-amine (CID 106887042) is N-[[3-[3-(trifluoromethyl)phenyl]furan-2-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[3-[3-(trifluoromethyl)phenyl]furan-2-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[3-[3-(trifluoromethyl)phenyl]furan-2-yl]methyl]propan-2-amine is CC(C)NCc1occc1-c1cccc(C(F)(F)F)c1.
What is the InChIKey of N-[[3-[3-(trifluoromethyl)phenyl]furan-2-yl]methyl]propan-2-amine?
The InChIKey is PRRPWQCHTRZIGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F3NO/c1-10(2)19-9-14-13(6-7-20-14)11-4-3-5-12(8-11)15(16,17)18/h3-8,10,19H,9H2,1-2H3.
What are the key properties of N-[[3-[3-(trifluoromethyl)phenyl]furan-2-yl]methyl]propan-2-amine?
N-[[3-[3-(trifluoromethyl)phenyl]furan-2-yl]methyl]propan-2-amine has a molecular weight of 283.29 g/mol, XLogP of 4.46, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[3-(trifluoromethyl)phenyl]furan-2-yl]methyl]propan-2-amine is sourced from PubChem (CID 106887042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).