N-[(2,6-difluorophenyl)-(3-methylfuran-2-yl)methyl]propan-1-amine

C15H17F2NO — CID 104806139

IUPACN-[(2,6-difluorophenyl)-(3-methylfuran-2-yl)methyl]propan-1-amine
SMILESCCCNC(c1occc1C)c1c(F)cccc1F
InChIInChI=1S/C15H17F2NO/c1-3-8-18-14(15-10(2)7-9-19-15)13-11(16)5-4-6-12(13)17/h4-7,9,14,18H,3,8H2,1-2H3
InChIKeyKWYVDNBUMWQSFZ-UHFFFAOYSA-N
MW265.30 g/mol
LogP3.96
Rot. Bonds5

About N-[(2,6-difluorophenyl)-(3-methylfuran-2-yl)methyl]propan-1-amine

N-[(2,6-difluorophenyl)-(3-methylfuran-2-yl)methyl]propan-1-amine (PubChem CID 104806139) has the molecular formula C15H17F2NO and a molecular weight of 265.30 g/mol. Its IUPAC name is N-[(2,6-difluorophenyl)-(3-methylfuran-2-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(2,6-difluorophenyl)-(3-methylfuran-2-yl)methyl]propan-1-amine
PubChem CID104806139
Molecular FormulaC15H17F2NO
Molecular Weight265.30 g/mol
Exact Mass265.13
IUPAC NameN-[(2,6-difluorophenyl)-(3-methylfuran-2-yl)methyl]propan-1-amine
SMILESCCCNC(c1occc1C)c1c(F)cccc1F
InChIInChI=1S/C15H17F2NO/c1-3-8-18-14(15-10(2)7-9-19-15)13-11(16)5-4-6-12(13)17/h4-7,9,14,18H,3,8H2,1-2H3
InChIKeyKWYVDNBUMWQSFZ-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-[(3-methylfuran-2-yl)-(2,4,5-trifluorophenyl)methyl]propan-1-amine
CID 103302837
N-[(2-bromofuran-3-yl)-(2,6-difluorophenyl)methyl]propan-1-amine
CID 106857656
N-[2-(2-chloro-6-fluorophenyl)-1-(3-methylfuran-2-yl)ethyl]propan-1-amine
CID 61079881
N-[(2,6-difluorophenyl)-(3-methylthiophen-2-yl)methyl]propan-1-amine
CID 55006823
N-[(4-tert-butylphenyl)-(3-methylfuran-2-yl)methyl]propan-1-amine
CID 43496415
N-[(2-bromo-6-fluorophenyl)-(2,6-difluorophenyl)methyl]propan-1-amine
CID 114887409
N-[(3-methylfuran-2-yl)-(4-methyl-3-pyridinyl)methyl]propan-1-amine
CID 104806165
N-[(2-chloro-4,5-dimethylphenyl)-(3-methylfuran-2-yl)methyl]propan-1-amine
CID 115484217
1-(3-methylfuran-2-yl)-N-propylpropan-1-amine
CID 104805698
N-[(3-methylfuran-2-yl)-(5-methylthiophen-3-yl)methyl]propan-1-amine
CID 104805742
N-[(2,6-difluorophenyl)-(4,5-dimethyl-1,3-thiazol-2-yl)methyl]propan-1-amine
CID 61334582
N-[1-(2,6-difluorophenyl)ethyl]propan-1-amine
CID 24691254

Frequently Asked Questions

What is the IUPAC name of N-[(2,6-difluorophenyl)-(3-methylfuran-2-yl)methyl]propan-1-amine?
The IUPAC name of N-[(2,6-difluorophenyl)-(3-methylfuran-2-yl)methyl]propan-1-amine (CID 104806139) is N-[(2,6-difluorophenyl)-(3-methylfuran-2-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[(2,6-difluorophenyl)-(3-methylfuran-2-yl)methyl]propan-1-amine?
The canonical SMILES for N-[(2,6-difluorophenyl)-(3-methylfuran-2-yl)methyl]propan-1-amine is CCCNC(c1occc1C)c1c(F)cccc1F.
What is the InChIKey of N-[(2,6-difluorophenyl)-(3-methylfuran-2-yl)methyl]propan-1-amine?
The InChIKey is KWYVDNBUMWQSFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F2NO/c1-3-8-18-14(15-10(2)7-9-19-15)13-11(16)5-4-6-12(13)17/h4-7,9,14,18H,3,8H2,1-2H3.
What are the key properties of N-[(2,6-difluorophenyl)-(3-methylfuran-2-yl)methyl]propan-1-amine?
N-[(2,6-difluorophenyl)-(3-methylfuran-2-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-[(2,6-difluorophenyl)-(3-methylfuran-2-yl)methyl]propan-1-amine is sourced from PubChem (CID 104806139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).