N-[2,3-dihydrofuran-5-yl-(3,4,5-trifluorophenyl)methyl]propan-1-amine

C14H16F3NO — CID 102651379

IUPACN-[2,3-dihydrofuran-5-yl-(3,4,5-trifluorophenyl)methyl]propan-1-amine
SMILESCCCNC(C1=CCCO1)c1cc(F)c(F)c(F)c1
InChIInChI=1S/C14H16F3NO/c1-2-5-18-14(12-4-3-6-19-12)9-7-10(15)13(17)11(16)8-9/h4,7-8,14,18H,2-3,5-6H2,1H3
InChIKeyHKTGOVRPFURWKR-UHFFFAOYSA-N
MW271.28 g/mol
LogP3.45
Rot. Bonds5

About N-[2,3-dihydrofuran-5-yl-(3,4,5-trifluorophenyl)methyl]propan-1-amine

N-[2,3-dihydrofuran-5-yl-(3,4,5-trifluorophenyl)methyl]propan-1-amine (PubChem CID 102651379) has the molecular formula C14H16F3NO and a molecular weight of 271.28 g/mol. Its IUPAC name is N-[2,3-dihydrofuran-5-yl-(3,4,5-trifluorophenyl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[2,3-dihydrofuran-5-yl-(3,4,5-trifluorophenyl)methyl]propan-1-amine
PubChem CID102651379
Molecular FormulaC14H16F3NO
Molecular Weight271.28 g/mol
Exact Mass271.12
IUPAC NameN-[2,3-dihydrofuran-5-yl-(3,4,5-trifluorophenyl)methyl]propan-1-amine
SMILESCCCNC(C1=CCCO1)c1cc(F)c(F)c(F)c1
InChIInChI=1S/C14H16F3NO/c1-2-5-18-14(12-4-3-6-19-12)9-7-10(15)13(17)11(16)8-9/h4,7-8,14,18H,2-3,5-6H2,1H3
InChIKeyHKTGOVRPFURWKR-UHFFFAOYSA-N
XLogP3.45
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.28
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[2,3-dihydrofuran-5-yl-(3,4,5-trifluorophenyl)methyl]propan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2,3-dihydrofuran-5-yl-(2,3,4,5,6-pentafluorophenyl)methyl]propan-1-amine
CID 102653283
N-[(3,5-difluorophenyl)-(3,4-dihydro-2H-pyran-6-yl)methyl]propan-1-amine
CID 102647282
N-[(5-bromo-2-fluorophenyl)-(2,3-dihydrofuran-5-yl)methyl]propan-1-amine
CID 102652310
N-[2,3-dihydrofuran-5-yl(quinoxalin-6-yl)methyl]propan-1-amine
CID 102651581
N-[3,4-dihydro-2H-pyran-6-yl-(3-fluoro-4-methoxyphenyl)methyl]propan-1-amine
CID 102649591
N-[2,3-dihydrofuran-5-yl-(2,4,6-trimethylphenyl)methyl]propan-1-amine
CID 102653514
N-[3,4-dihydro-2H-pyran-6-yl-(3-fluorophenyl)methyl]propan-1-amine
CID 102647099
N-[(2,5-dichlorophenyl)-(2,3-dihydrofuran-5-yl)methyl]propan-1-amine
CID 102653631
N-[2,3-dihydrofuran-5-yl-(2,5-dimethylphenyl)methyl]propan-1-amine
CID 102653281
N-[2,3-dihydrofuran-5-yl-(2-fluoro-6-methoxyphenyl)methyl]propan-1-amine
CID 102651984
N-[2,3-dihydrofuran-5-yl(furan-2-yl)methyl]propan-1-amine
CID 102651455
1-(2,3-dihydrofuran-5-yl)-1-(3-fluoro-4-methylphenyl)-N-methylmethanamine
CID 102651298

Frequently Asked Questions

What is the IUPAC name of N-[2,3-dihydrofuran-5-yl-(3,4,5-trifluorophenyl)methyl]propan-1-amine?
The IUPAC name of N-[2,3-dihydrofuran-5-yl-(3,4,5-trifluorophenyl)methyl]propan-1-amine (CID 102651379) is N-[2,3-dihydrofuran-5-yl-(3,4,5-trifluorophenyl)methyl]propan-1-amine.
What is the SMILES notation for N-[2,3-dihydrofuran-5-yl-(3,4,5-trifluorophenyl)methyl]propan-1-amine?
The canonical SMILES for N-[2,3-dihydrofuran-5-yl-(3,4,5-trifluorophenyl)methyl]propan-1-amine is CCCNC(C1=CCCO1)c1cc(F)c(F)c(F)c1.
What is the InChIKey of N-[2,3-dihydrofuran-5-yl-(3,4,5-trifluorophenyl)methyl]propan-1-amine?
The InChIKey is HKTGOVRPFURWKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F3NO/c1-2-5-18-14(12-4-3-6-19-12)9-7-10(15)13(17)11(16)8-9/h4,7-8,14,18H,2-3,5-6H2,1H3.
What are the key properties of N-[2,3-dihydrofuran-5-yl-(3,4,5-trifluorophenyl)methyl]propan-1-amine?
N-[2,3-dihydrofuran-5-yl-(3,4,5-trifluorophenyl)methyl]propan-1-amine has a molecular weight of 271.28 g/mol, XLogP of 3.45, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,3-dihydrofuran-5-yl-(3,4,5-trifluorophenyl)methyl]propan-1-amine is sourced from PubChem (CID 102651379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).