N-[(2,3-difluorophenyl)-(5-methylfuran-3-yl)methyl]propan-1-amine

C15H17F2NO — CID 115861901

IUPACN-[(2,3-difluorophenyl)-(5-methylfuran-3-yl)methyl]propan-1-amine
SMILESCCCNC(c1coc(C)c1)c1cccc(F)c1F
InChIInChI=1S/C15H17F2NO/c1-3-7-18-15(11-8-10(2)19-9-11)12-5-4-6-13(16)14(12)17/h4-6,8-9,15,18H,3,7H2,1-2H3
InChIKeyLEGQVOOTKFOLLE-UHFFFAOYSA-N
MW265.30 g/mol
LogP3.96
Rot. Bonds5

About N-[(2,3-difluorophenyl)-(5-methylfuran-3-yl)methyl]propan-1-amine

N-[(2,3-difluorophenyl)-(5-methylfuran-3-yl)methyl]propan-1-amine (PubChem CID 115861901) has the molecular formula C15H17F2NO and a molecular weight of 265.30 g/mol. Its IUPAC name is N-[(2,3-difluorophenyl)-(5-methylfuran-3-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(2,3-difluorophenyl)-(5-methylfuran-3-yl)methyl]propan-1-amine
PubChem CID115861901
Molecular FormulaC15H17F2NO
Molecular Weight265.30 g/mol
Exact Mass265.13
IUPAC NameN-[(2,3-difluorophenyl)-(5-methylfuran-3-yl)methyl]propan-1-amine
SMILESCCCNC(c1coc(C)c1)c1cccc(F)c1F
InChIInChI=1S/C15H17F2NO/c1-3-7-18-15(11-8-10(2)19-9-11)12-5-4-6-13(16)14(12)17/h4-6,8-9,15,18H,3,7H2,1-2H3
InChIKeyLEGQVOOTKFOLLE-UHFFFAOYSA-N
XLogP3.96
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.30
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[bis(2,3-difluorophenyl)methyl]propan-1-amine
CID 115862083
N-[(2,3-difluorophenyl)-(3,4-dimethylphenyl)methyl]propan-1-amine
CID 63502473
N-[(2,3-difluorophenyl)-(3-fluorophenyl)methyl]propan-1-amine
CID 63988399
N-[(2-fluorophenyl)-(5-methylfuran-3-yl)methyl]ethanamine
CID 115828096
N-[(5-fluoro-2-methoxyphenyl)-(5-methylfuran-3-yl)methyl]propan-1-amine
CID 114820102
N-[(2,3-difluorophenyl)-(2,5-dimethylphenyl)methyl]propan-1-amine
CID 63502673
N-[(5-methylfuran-3-yl)-[3-(trifluoromethyl)phenyl]methyl]propan-1-amine
CID 115850651
N-[(2,3-difluorophenyl)-pyridin-3-ylmethyl]propan-1-amine
CID 63990259
N-[(5-methylfuran-3-yl)-(4-methyl-3-pyridinyl)methyl]propan-1-amine
CID 105006407
N-[(2-fluoro-3-methylphenyl)-phenylmethyl]propan-1-amine
CID 81477000
N-[(5-methylfuran-2-yl)-(5-methylfuran-3-yl)methyl]propan-1-amine
CID 114820178
N-[(2-bromo-6-fluorophenyl)-(2,3-difluorophenyl)methyl]propan-1-amine
CID 114887381

Frequently Asked Questions

What is the IUPAC name of N-[(2,3-difluorophenyl)-(5-methylfuran-3-yl)methyl]propan-1-amine?
The IUPAC name of N-[(2,3-difluorophenyl)-(5-methylfuran-3-yl)methyl]propan-1-amine (CID 115861901) is N-[(2,3-difluorophenyl)-(5-methylfuran-3-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[(2,3-difluorophenyl)-(5-methylfuran-3-yl)methyl]propan-1-amine?
The canonical SMILES for N-[(2,3-difluorophenyl)-(5-methylfuran-3-yl)methyl]propan-1-amine is CCCNC(c1coc(C)c1)c1cccc(F)c1F.
What is the InChIKey of N-[(2,3-difluorophenyl)-(5-methylfuran-3-yl)methyl]propan-1-amine?
The InChIKey is LEGQVOOTKFOLLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F2NO/c1-3-7-18-15(11-8-10(2)19-9-11)12-5-4-6-13(16)14(12)17/h4-6,8-9,15,18H,3,7H2,1-2H3.
What are the key properties of N-[(2,3-difluorophenyl)-(5-methylfuran-3-yl)methyl]propan-1-amine?
N-[(2,3-difluorophenyl)-(5-methylfuran-3-yl)methyl]propan-1-amine has a molecular weight of 265.30 g/mol, XLogP of 3.96, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,3-difluorophenyl)-(5-methylfuran-3-yl)methyl]propan-1-amine is sourced from PubChem (CID 115861901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).