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

C16H18F3NO — CID 63085650

IUPACN-propyl-1-[5-(2,3,5-trifluorophenyl)furan-2-yl]propan-2-amine
SMILESCCCNC(C)Cc1ccc(-c2cc(F)cc(F)c2F)o1
InChIInChI=1S/C16H18F3NO/c1-3-6-20-10(2)7-12-4-5-15(21-12)13-8-11(17)9-14(18)16(13)19/h4-5,8-10,20H,3,6-7H2,1-2H3
InChIKeyDHZMGIFNCUGAFR-UHFFFAOYSA-N
MW297.32 g/mol
LogP4.29
Rot. Bonds6

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

N-propyl-1-[5-(2,3,5-trifluorophenyl)furan-2-yl]propan-2-amine (PubChem CID 63085650) has the molecular formula C16H18F3NO and a molecular weight of 297.32 g/mol. Its IUPAC name is N-propyl-1-[5-(2,3,5-trifluorophenyl)furan-2-yl]propan-2-amine.

Molecular Properties

Compound NameN-propyl-1-[5-(2,3,5-trifluorophenyl)furan-2-yl]propan-2-amine
PubChem CID63085650
Molecular FormulaC16H18F3NO
Molecular Weight297.32 g/mol
Exact Mass297.13
IUPAC NameN-propyl-1-[5-(2,3,5-trifluorophenyl)furan-2-yl]propan-2-amine
SMILESCCCNC(C)Cc1ccc(-c2cc(F)cc(F)c2F)o1
InChIInChI=1S/C16H18F3NO/c1-3-6-20-10(2)7-12-4-5-15(21-12)13-8-11(17)9-14(18)16(13)19/h4-5,8-10,20H,3,6-7H2,1-2H3
InChIKeyDHZMGIFNCUGAFR-UHFFFAOYSA-N
XLogP4.29
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.32
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

1-[5-(4-bromo-2-fluorophenyl)furan-2-yl]-N-propylpropan-2-amine
CID 63398595
1-[5-(2,4-dichlorophenyl)furan-2-yl]-N-propylpropan-2-amine
CID 63398553
1-[5-(2-bromo-5-chlorophenyl)furan-2-yl]-N-propylpropan-2-amine
CID 81274606
1-[5-(2,4-difluorophenyl)furan-2-yl]-N-methylpropan-2-amine
CID 63084755
1-[5-(2-bromo-5-fluorophenyl)furan-2-yl]-N-ethylpropan-2-amine
CID 107626829
1-[5-(4-bromo-2,5-difluorophenyl)furan-2-yl]-N-ethylpropan-2-amine
CID 107615154
1-[5-(3-bromophenyl)furan-2-yl]-N-propylpropan-2-amine
CID 55188418
N-propyl-1-[5-(4-propylphenyl)furan-2-yl]propan-2-amine
CID 63398712
1-[5-(4-bromo-3-chlorophenyl)furan-2-yl]-N-propylpropan-2-amine
CID 107615184
1-[5-(5-methyl-3-pyridinyl)furan-2-yl]-N-propylpropan-2-amine
CID 107586256
1-[5-(2-bromo-4,6-difluorophenyl)furan-2-yl]-N-methylpropan-2-amine
CID 55181507
1-[5-(1-benzothiophen-5-yl)furan-2-yl]-N-propylpropan-2-amine
CID 65474544

Frequently Asked Questions

What is the IUPAC name of N-propyl-1-[5-(2,3,5-trifluorophenyl)furan-2-yl]propan-2-amine?
The IUPAC name of N-propyl-1-[5-(2,3,5-trifluorophenyl)furan-2-yl]propan-2-amine (CID 63085650) is N-propyl-1-[5-(2,3,5-trifluorophenyl)furan-2-yl]propan-2-amine.
What is the SMILES notation for N-propyl-1-[5-(2,3,5-trifluorophenyl)furan-2-yl]propan-2-amine?
The canonical SMILES for N-propyl-1-[5-(2,3,5-trifluorophenyl)furan-2-yl]propan-2-amine is CCCNC(C)Cc1ccc(-c2cc(F)cc(F)c2F)o1.
What is the InChIKey of N-propyl-1-[5-(2,3,5-trifluorophenyl)furan-2-yl]propan-2-amine?
The InChIKey is DHZMGIFNCUGAFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18F3NO/c1-3-6-20-10(2)7-12-4-5-15(21-12)13-8-11(17)9-14(18)16(13)19/h4-5,8-10,20H,3,6-7H2,1-2H3.
What are the key properties of N-propyl-1-[5-(2,3,5-trifluorophenyl)furan-2-yl]propan-2-amine?
N-propyl-1-[5-(2,3,5-trifluorophenyl)furan-2-yl]propan-2-amine has a molecular weight of 297.32 g/mol, XLogP of 4.29, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-1-[5-(2,3,5-trifluorophenyl)furan-2-yl]propan-2-amine is sourced from PubChem (CID 63085650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).