4-fluoro-4-(furan-2-ylmethyl)-5-methoxypentan-1-amine

C11H18FNO2 — CID 103392368

IUPAC4-fluoro-4-(furan-2-ylmethyl)-5-methoxypentan-1-amine
SMILESCOCC(F)(CCCN)Cc1ccco1
InChIInChI=1S/C11H18FNO2/c1-14-9-11(12,5-3-6-13)8-10-4-2-7-15-10/h2,4,7H,3,5-6,8-9,13H2,1H3
InChIKeyKYDIIWJJQCOXSX-UHFFFAOYSA-N
MW215.27 g/mol
LogP1.92
Rot. Bonds7

About 4-fluoro-4-(furan-2-ylmethyl)-5-methoxypentan-1-amine

4-fluoro-4-(furan-2-ylmethyl)-5-methoxypentan-1-amine (PubChem CID 103392368) has the molecular formula C11H18FNO2 and a molecular weight of 215.27 g/mol. Its IUPAC name is 4-fluoro-4-(furan-2-ylmethyl)-5-methoxypentan-1-amine.

Molecular Properties

Compound Name4-fluoro-4-(furan-2-ylmethyl)-5-methoxypentan-1-amine
PubChem CID103392368
Molecular FormulaC11H18FNO2
Molecular Weight215.27 g/mol
Exact Mass215.13
IUPAC Name4-fluoro-4-(furan-2-ylmethyl)-5-methoxypentan-1-amine
SMILESCOCC(F)(CCCN)Cc1ccco1
InChIInChI=1S/C11H18FNO2/c1-14-9-11(12,5-3-6-13)8-10-4-2-7-15-10/h2,4,7H,3,5-6,8-9,13H2,1H3
InChIKeyKYDIIWJJQCOXSX-UHFFFAOYSA-N
XLogP1.92
TPSA48.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.27
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(Furan-2-yl)propan-1-amine
CID 179114
4-(Furan-2-yl)butan-2-amine
CID 2772029
3-(Furan-2-yl)-3-(p-tolyl)propan-1-amine
CID 2771861
(3-Furan-2-yl-propyl)-methyl-amine
CID 2772204
3-Furan-2-yl-3-phenyl-propylamine
CID 3149175
3-(Furan-2-yl)-3-(2-methoxyphenyl)propan-1-amine
CID 2921616
3-(5-Methylfuran-2-yl)propan-1-amine
CID 12920834
(E)-3-[4-(cyclohexen-1-yl)furan-2-yl]-2-methylprop-2-enamide
CID 127033443
3-(Furan-2-yl)-4-phenylbutan-1-amine
CID 2771863
3-(Furan-2-yl)-N,N,2-trimethylpropan-1-amine
CID 32985
2-Furanpropylamine, N,N-dimethyl-beta-ethyl-
CID 32986
2-Furanpropylamine, N,N,beta-trimethyl-, hydrochloride
CID 32991

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-4-(furan-2-ylmethyl)-5-methoxypentan-1-amine?
The IUPAC name of 4-fluoro-4-(furan-2-ylmethyl)-5-methoxypentan-1-amine (CID 103392368) is 4-fluoro-4-(furan-2-ylmethyl)-5-methoxypentan-1-amine.
What is the SMILES notation for 4-fluoro-4-(furan-2-ylmethyl)-5-methoxypentan-1-amine?
The canonical SMILES for 4-fluoro-4-(furan-2-ylmethyl)-5-methoxypentan-1-amine is COCC(F)(CCCN)Cc1ccco1.
What is the InChIKey of 4-fluoro-4-(furan-2-ylmethyl)-5-methoxypentan-1-amine?
The InChIKey is KYDIIWJJQCOXSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18FNO2/c1-14-9-11(12,5-3-6-13)8-10-4-2-7-15-10/h2,4,7H,3,5-6,8-9,13H2,1H3.
What are the key properties of 4-fluoro-4-(furan-2-ylmethyl)-5-methoxypentan-1-amine?
4-fluoro-4-(furan-2-ylmethyl)-5-methoxypentan-1-amine has a molecular weight of 215.27 g/mol, XLogP of 1.92, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-4-(furan-2-ylmethyl)-5-methoxypentan-1-amine is sourced from PubChem (CID 103392368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).