N-[2-fluoro-4-(furan-2-yl)phenyl]oxan-4-amine

C15H16FNO2 — CID 122147081

IUPACN-[2-fluoro-4-(furan-2-yl)phenyl]oxan-4-amine
SMILESFc1cc(-c2ccco2)ccc1NC1CCOCC1
InChIInChI=1S/C15H16FNO2/c16-13-10-11(15-2-1-7-19-15)3-4-14(13)17-12-5-8-18-9-6-12/h1-4,7,10,12,17H,5-6,8-9H2
InChIKeyZESMYMLXAHDGBM-UHFFFAOYSA-N
MW261.30 g/mol
LogP3.68
Rot. Bonds3

About N-[2-fluoro-4-(furan-2-yl)phenyl]oxan-4-amine

N-[2-fluoro-4-(furan-2-yl)phenyl]oxan-4-amine (PubChem CID 122147081) has the molecular formula C15H16FNO2 and a molecular weight of 261.30 g/mol. Its IUPAC name is N-[2-fluoro-4-(furan-2-yl)phenyl]oxan-4-amine.

Molecular Properties

Compound NameN-[2-fluoro-4-(furan-2-yl)phenyl]oxan-4-amine
PubChem CID122147081
Molecular FormulaC15H16FNO2
Molecular Weight261.30 g/mol
Exact Mass261.12
IUPAC NameN-[2-fluoro-4-(furan-2-yl)phenyl]oxan-4-amine
SMILESFc1cc(-c2ccco2)ccc1NC1CCOCC1
InChIInChI=1S/C15H16FNO2/c16-13-10-11(15-2-1-7-19-15)3-4-14(13)17-12-5-8-18-9-6-12/h1-4,7,10,12,17H,5-6,8-9H2
InChIKeyZESMYMLXAHDGBM-UHFFFAOYSA-N
XLogP3.68
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.30
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2-Furyl)Aniline Hydrochloride
CID 4191105
Ethyl 4-{[5-(2-furyl)-3-oxo-1-cyclohexen-1-yl]amino}benzoate
CID 2878114
4-acetamido-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]benzamide
CID 24240781
N-[1-(furan-2-yl)-3-methylbut-3-en-1-yl]-4-methoxyaniline
CID 2772051
3-(4-Ethylanilino)-5-(2-furyl)cyclohex-2-en-1-one
CID 2887084
Benzyl (2-(4-(4-fluorophenyl)piperazin-1-yl)-2-(furan-2-yl)ethyl)carbamate
CID 12005995
Ethyl 4-{[3-(2-furyl)-3-oxo-1-propen-1-yl]amino}benzoate
CID 2248099
4-[(2-cyanoacetyl)amino]-N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]benzamide
CID 4965760
(E)-1-(4-(dimethylamino)phenyl)-3-(furan-2-yl)prop-2-en-1-one
CID 5856986
(2E)-N-(3-Fluoro-4-methylphenyl)-3-(furan-2-YL)prop-2-enamide
CID 6026486
8-Furan-2-yl-4-methyl-1,2,5,6-tetrahydro-pyrido[1,2-a]quinolin-3-one
CID 11482868
Benzyl (2-(4-(2-fluorophenyl)piperazin-1-yl)-2-(furan-2-yl)ethyl)carbamate
CID 12005905

Frequently Asked Questions

What is the IUPAC name of N-[2-fluoro-4-(furan-2-yl)phenyl]oxan-4-amine?
The IUPAC name of N-[2-fluoro-4-(furan-2-yl)phenyl]oxan-4-amine (CID 122147081) is N-[2-fluoro-4-(furan-2-yl)phenyl]oxan-4-amine.
What is the SMILES notation for N-[2-fluoro-4-(furan-2-yl)phenyl]oxan-4-amine?
The canonical SMILES for N-[2-fluoro-4-(furan-2-yl)phenyl]oxan-4-amine is Fc1cc(-c2ccco2)ccc1NC1CCOCC1.
What is the InChIKey of N-[2-fluoro-4-(furan-2-yl)phenyl]oxan-4-amine?
The InChIKey is ZESMYMLXAHDGBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FNO2/c16-13-10-11(15-2-1-7-19-15)3-4-14(13)17-12-5-8-18-9-6-12/h1-4,7,10,12,17H,5-6,8-9H2.
What are the key properties of N-[2-fluoro-4-(furan-2-yl)phenyl]oxan-4-amine?
N-[2-fluoro-4-(furan-2-yl)phenyl]oxan-4-amine has a molecular weight of 261.30 g/mol, XLogP of 3.68, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-fluoro-4-(furan-2-yl)phenyl]oxan-4-amine is sourced from PubChem (CID 122147081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).