3-(furan-2-yl)-N-propyl-1-(2,3,4-trifluorophenyl)propan-1-amine

C16H18F3NO — CID 105146576

IUPAC3-(furan-2-yl)-N-propyl-1-(2,3,4-trifluorophenyl)propan-1-amine
SMILESCCCNC(CCc1ccco1)c1ccc(F)c(F)c1F
InChIInChI=1S/C16H18F3NO/c1-2-9-20-14(8-5-11-4-3-10-21-11)12-6-7-13(17)16(19)15(12)18/h3-4,6-7,10,14,20H,2,5,8-9H2,1H3
InChIKeyNXCOBZZUKVHRGZ-UHFFFAOYSA-N
MW297.32 g/mol
LogP4.37
Rot. Bonds7

About 3-(furan-2-yl)-N-propyl-1-(2,3,4-trifluorophenyl)propan-1-amine

3-(furan-2-yl)-N-propyl-1-(2,3,4-trifluorophenyl)propan-1-amine (PubChem CID 105146576) has the molecular formula C16H18F3NO and a molecular weight of 297.32 g/mol. Its IUPAC name is 3-(furan-2-yl)-N-propyl-1-(2,3,4-trifluorophenyl)propan-1-amine.

Molecular Properties

Compound Name3-(furan-2-yl)-N-propyl-1-(2,3,4-trifluorophenyl)propan-1-amine
PubChem CID105146576
Molecular FormulaC16H18F3NO
Molecular Weight297.32 g/mol
Exact Mass297.13
IUPAC Name3-(furan-2-yl)-N-propyl-1-(2,3,4-trifluorophenyl)propan-1-amine
SMILESCCCNC(CCc1ccco1)c1ccc(F)c(F)c1F
InChIInChI=1S/C16H18F3NO/c1-2-9-20-14(8-5-11-4-3-10-21-11)12-6-7-13(17)16(19)15(12)18/h3-4,6-7,10,14,20H,2,5,8-9H2,1H3
InChIKeyNXCOBZZUKVHRGZ-UHFFFAOYSA-N
XLogP4.37
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.32
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

1-(2-chloro-5-fluorophenyl)-3-(furan-2-yl)-N-propylpropan-1-amine
CID 105397187
1-(4-fluoro-3-methylphenyl)-3-(furan-2-yl)-N-propylpropan-1-amine
CID 105143097
N-propyl-1-(2,3,4-trifluorophenyl)pentan-1-amine
CID 79411869
4-methyl-N-propyl-1-(2,3,4-trifluorophenyl)pentan-1-amine
CID 55186996
N-ethyl-1-(2-fluorophenyl)-3-(furan-2-yl)propan-1-amine
CID 105119317
4,4-dimethyl-N-propyl-1-(2,3,4-trifluorophenyl)pentan-1-amine
CID 115849735
1-(3,5-dimethylphenyl)-3-(furan-2-yl)-N-propylpropan-1-amine
CID 105097322
4-methoxy-N-propyl-1-(2,3,4-trifluorophenyl)butan-1-amine
CID 65092172
3-(furan-2-yl)-1-(3-methyltriazol-4-yl)-N-propylpropan-1-amine
CID 105184733
1-(2-chloro-5-fluorophenyl)-N-ethyl-3-(furan-2-yl)propan-1-amine
CID 105397390
1-(5-chloro-2-fluorophenyl)-4-(furan-2-yl)-N-propylbutan-2-amine
CID 103053057
4-methoxy-4-methyl-N-propyl-1-(2,3,4-trifluorophenyl)pentan-1-amine
CID 103031413

Frequently Asked Questions

What is the IUPAC name of 3-(furan-2-yl)-N-propyl-1-(2,3,4-trifluorophenyl)propan-1-amine?
The IUPAC name of 3-(furan-2-yl)-N-propyl-1-(2,3,4-trifluorophenyl)propan-1-amine (CID 105146576) is 3-(furan-2-yl)-N-propyl-1-(2,3,4-trifluorophenyl)propan-1-amine.
What is the SMILES notation for 3-(furan-2-yl)-N-propyl-1-(2,3,4-trifluorophenyl)propan-1-amine?
The canonical SMILES for 3-(furan-2-yl)-N-propyl-1-(2,3,4-trifluorophenyl)propan-1-amine is CCCNC(CCc1ccco1)c1ccc(F)c(F)c1F.
What is the InChIKey of 3-(furan-2-yl)-N-propyl-1-(2,3,4-trifluorophenyl)propan-1-amine?
The InChIKey is NXCOBZZUKVHRGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18F3NO/c1-2-9-20-14(8-5-11-4-3-10-21-11)12-6-7-13(17)16(19)15(12)18/h3-4,6-7,10,14,20H,2,5,8-9H2,1H3.
What are the key properties of 3-(furan-2-yl)-N-propyl-1-(2,3,4-trifluorophenyl)propan-1-amine?
3-(furan-2-yl)-N-propyl-1-(2,3,4-trifluorophenyl)propan-1-amine has a molecular weight of 297.32 g/mol, XLogP of 4.37, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(furan-2-yl)-N-propyl-1-(2,3,4-trifluorophenyl)propan-1-amine is sourced from PubChem (CID 105146576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).