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

C14H14F3NO — CID 55119419

IUPACN-[[5-(3,4,5-trifluorophenyl)furan-2-yl]methyl]propan-1-amine
SMILESCCCNCc1ccc(-c2cc(F)c(F)c(F)c2)o1
InChIInChI=1S/C14H14F3NO/c1-2-5-18-8-10-3-4-13(19-10)9-6-11(15)14(17)12(16)7-9/h3-4,6-7,18H,2,5,8H2,1H3
InChIKeyGNVZWASWWGZMMS-UHFFFAOYSA-N
MW269.27 g/mol
LogP3.86
Rot. Bonds5

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

N-[[5-(3,4,5-trifluorophenyl)furan-2-yl]methyl]propan-1-amine (PubChem CID 55119419) has the molecular formula C14H14F3NO and a molecular weight of 269.27 g/mol. Its IUPAC name is N-[[5-(3,4,5-trifluorophenyl)furan-2-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[5-(3,4,5-trifluorophenyl)furan-2-yl]methyl]propan-1-amine
PubChem CID55119419
Molecular FormulaC14H14F3NO
Molecular Weight269.27 g/mol
Exact Mass269.10
IUPAC NameN-[[5-(3,4,5-trifluorophenyl)furan-2-yl]methyl]propan-1-amine
SMILESCCCNCc1ccc(-c2cc(F)c(F)c(F)c2)o1
InChIInChI=1S/C14H14F3NO/c1-2-5-18-8-10-3-4-13(19-10)9-6-11(15)14(17)12(16)7-9/h3-4,6-7,18H,2,5,8H2,1H3
InChIKeyGNVZWASWWGZMMS-UHFFFAOYSA-N
XLogP3.86
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.27
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[[5-(3,5-dichlorophenyl)furan-2-yl]methyl]propan-1-amine;hydrochloride
CID 17332122
N-[(5-phenylfuran-2-yl)methyl]propan-1-amine
CID 4725254
N-[[5-(3-methylphenyl)furan-2-yl]methyl]propan-1-amine
CID 43624804
N-[[5-(2,6-difluoro-4-methoxyphenyl)furan-2-yl]methyl]propan-1-amine
CID 106888520
N-[[5-[4-bromo-3-(trifluoromethyl)phenyl]furan-2-yl]methyl]propan-1-amine
CID 64855525
N-[[5-(5-bromo-4-fluoro-2-methylphenyl)furan-2-yl]methyl]propan-1-amine
CID 107593421
[5-(3,4,5-trifluorophenyl)furan-2-yl]methanamine
CID 62812550
N-[[5-(3-chloro-4-fluorophenyl)furan-2-yl]methyl]hexan-1-amine
CID 4724568
N-[[5-(4-nitrophenyl)furan-2-yl]methyl]propan-1-amine
CID 4973493
N-[[5-(4-fluorophenyl)furan-2-yl]methyl]heptan-1-amine
CID 4723512
N-[[5-(2,5-dichlorophenyl)furan-2-yl]methyl]propan-1-amine
CID 4723557
N-[[5-(4-bromophenyl)furan-2-yl]methyl]butan-1-amine
CID 4723752

Frequently Asked Questions

What is the IUPAC name of N-[[5-(3,4,5-trifluorophenyl)furan-2-yl]methyl]propan-1-amine?
The IUPAC name of N-[[5-(3,4,5-trifluorophenyl)furan-2-yl]methyl]propan-1-amine (CID 55119419) is N-[[5-(3,4,5-trifluorophenyl)furan-2-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[[5-(3,4,5-trifluorophenyl)furan-2-yl]methyl]propan-1-amine?
The canonical SMILES for N-[[5-(3,4,5-trifluorophenyl)furan-2-yl]methyl]propan-1-amine is CCCNCc1ccc(-c2cc(F)c(F)c(F)c2)o1.
What is the InChIKey of N-[[5-(3,4,5-trifluorophenyl)furan-2-yl]methyl]propan-1-amine?
The InChIKey is GNVZWASWWGZMMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F3NO/c1-2-5-18-8-10-3-4-13(19-10)9-6-11(15)14(17)12(16)7-9/h3-4,6-7,18H,2,5,8H2,1H3.
What are the key properties of N-[[5-(3,4,5-trifluorophenyl)furan-2-yl]methyl]propan-1-amine?
N-[[5-(3,4,5-trifluorophenyl)furan-2-yl]methyl]propan-1-amine has a molecular weight of 269.27 g/mol, XLogP of 3.86, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(3,4,5-trifluorophenyl)furan-2-yl]methyl]propan-1-amine is sourced from PubChem (CID 55119419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).