N-[(2,5-difluorophenyl)methyl]-4-(furan-2-yl)butan-2-amine

C15H17F2NO — CID 43312742

IUPACN-[(2,5-difluorophenyl)methyl]-4-(furan-2-yl)butan-2-amine
SMILESCC(CCc1ccco1)NCc1cc(F)ccc1F
InChIInChI=1S/C15H17F2NO/c1-11(4-6-14-3-2-8-19-14)18-10-12-9-13(16)5-7-15(12)17/h2-3,5,7-9,11,18H,4,6,10H2,1H3
InChIKeyBUXWCTIZMDXOBM-UHFFFAOYSA-N
MW265.30 g/mol
LogP3.67
Rot. Bonds6

About N-[(2,5-difluorophenyl)methyl]-4-(furan-2-yl)butan-2-amine

N-[(2,5-difluorophenyl)methyl]-4-(furan-2-yl)butan-2-amine (PubChem CID 43312742) has the molecular formula C15H17F2NO and a molecular weight of 265.30 g/mol. Its IUPAC name is N-[(2,5-difluorophenyl)methyl]-4-(furan-2-yl)butan-2-amine.

Molecular Properties

Compound NameN-[(2,5-difluorophenyl)methyl]-4-(furan-2-yl)butan-2-amine
PubChem CID43312742
Molecular FormulaC15H17F2NO
Molecular Weight265.30 g/mol
Exact Mass265.13
IUPAC NameN-[(2,5-difluorophenyl)methyl]-4-(furan-2-yl)butan-2-amine
SMILESCC(CCc1ccco1)NCc1cc(F)ccc1F
InChIInChI=1S/C15H17F2NO/c1-11(4-6-14-3-2-8-19-14)18-10-12-9-13(16)5-7-15(12)17/h2-3,5,7-9,11,18H,4,6,10H2,1H3
InChIKeyBUXWCTIZMDXOBM-UHFFFAOYSA-N
XLogP3.67
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.30
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-fluoro-2-[[4-(furan-2-yl)butan-2-ylamino]methyl]benzonitrile
CID 107904110
(1R)-N-[(2,5-difluorophenyl)methyl]-1-(furan-2-yl)ethanamine
CID 81402970
N-[(3-fluoro-4-methylphenyl)methyl]-4-(furan-2-yl)butan-2-amine
CID 55245951
N-[(4-bromo-3-fluorophenyl)methyl]-4-(furan-2-yl)butan-2-amine
CID 81002706
[1-(2,5-difluorophenyl)-4-(furan-2-yl)butan-2-yl]hydrazine
CID 105288848
4-[[4-(furan-2-yl)butan-2-ylamino]methyl]benzene-1,2,3-triol
CID 107730421
N-[(2,5-difluorophenyl)methyl]hexan-2-amine
CID 62196749
(2S)-N-[[6-(4-fluorophenyl)tetrazolo[1,5-a]pyridin-8-yl]methyl]-4-(furan-2-yl)butan-2-amine
CID 95852026
(2R)-N-[(2,5-difluorophenyl)methyl]butan-2-amine
CID 93284909
N-[[3-(difluoromethyl)phenyl]methyl]-4-(furan-2-yl)butan-2-amine
CID 115526047
(2R)-2-N-[(2,5-difluorophenyl)methyl]propane-1,2-diamine
CID 104868144
2-[4-[[4-(furan-2-yl)butan-2-ylamino]methyl]phenyl]acetic acid
CID 103246843

Frequently Asked Questions

What is the IUPAC name of N-[(2,5-difluorophenyl)methyl]-4-(furan-2-yl)butan-2-amine?
The IUPAC name of N-[(2,5-difluorophenyl)methyl]-4-(furan-2-yl)butan-2-amine (CID 43312742) is N-[(2,5-difluorophenyl)methyl]-4-(furan-2-yl)butan-2-amine.
What is the SMILES notation for N-[(2,5-difluorophenyl)methyl]-4-(furan-2-yl)butan-2-amine?
The canonical SMILES for N-[(2,5-difluorophenyl)methyl]-4-(furan-2-yl)butan-2-amine is CC(CCc1ccco1)NCc1cc(F)ccc1F.
What is the InChIKey of N-[(2,5-difluorophenyl)methyl]-4-(furan-2-yl)butan-2-amine?
The InChIKey is BUXWCTIZMDXOBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F2NO/c1-11(4-6-14-3-2-8-19-14)18-10-12-9-13(16)5-7-15(12)17/h2-3,5,7-9,11,18H,4,6,10H2,1H3.
What are the key properties of N-[(2,5-difluorophenyl)methyl]-4-(furan-2-yl)butan-2-amine?
N-[(2,5-difluorophenyl)methyl]-4-(furan-2-yl)butan-2-amine has a molecular weight of 265.30 g/mol, XLogP of 3.67, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,5-difluorophenyl)methyl]-4-(furan-2-yl)butan-2-amine is sourced from PubChem (CID 43312742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).