2-fluoro-2-methyl-1-(5-methylfuran-2-yl)butan-1-amine

C10H16FNO — CID 143080455

IUPAC2-fluoro-2-methyl-1-(5-methylfuran-2-yl)butan-1-amine
SMILESCCC(C)(F)C(N)c1ccc(C)o1
InChIInChI=1S/C10H16FNO/c1-4-10(3,11)9(12)8-6-5-7(2)13-8/h5-6,9H,4,12H2,1-3H3
InChIKeyFGLIFMPLDIPZEE-UHFFFAOYSA-N
MW185.24 g/mol
LogP2.73
Rot. Bonds3

About 2-fluoro-2-methyl-1-(5-methylfuran-2-yl)butan-1-amine

2-fluoro-2-methyl-1-(5-methylfuran-2-yl)butan-1-amine (PubChem CID 143080455) has the molecular formula C10H16FNO and a molecular weight of 185.24 g/mol. Its IUPAC name is 2-fluoro-2-methyl-1-(5-methylfuran-2-yl)butan-1-amine.

Molecular Properties

Compound Name2-fluoro-2-methyl-1-(5-methylfuran-2-yl)butan-1-amine
PubChem CID143080455
Molecular FormulaC10H16FNO
Molecular Weight185.24 g/mol
Exact Mass185.12
IUPAC Name2-fluoro-2-methyl-1-(5-methylfuran-2-yl)butan-1-amine
SMILESCCC(C)(F)C(N)c1ccc(C)o1
InChIInChI=1S/C10H16FNO/c1-4-10(3,11)9(12)8-6-5-7(2)13-8/h5-6,9H,4,12H2,1-3H3
InChIKeyFGLIFMPLDIPZEE-UHFFFAOYSA-N
XLogP2.73
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.24
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3R)-3-amino-2,2-difluoro-3-(5-methylfuran-2-yl)propan-1-ol
CID 130649581
ethyl (3S)-3-amino-2,2-difluoro-3-(5-methylfuran-2-yl)propanoate;hydrochloride
CID 171250473
(1S)-4,4,4-trifluoro-1-(5-methylfuran-2-yl)butan-1-amine
CID 171231975
(1R)-4,4,4-trifluoro-1-(5-methylfuran-2-yl)butan-1-amine
CID 171212372
3,3-dimethyl-1-(5-methylfuran-2-yl)butan-1-amine;ethane;3,3,3-trifluoro-1-(5-methylfuran-2-yl)propan-1-amine
CID 142810436
ethane;(1R)-1-(5-methylfuran-2-yl)propan-1-amine
CID 142856729
(1S)-2-fluoro-1-(5-methylfuran-2-yl)ethanamine;hydrochloride
CID 171212357
methyl (3S)-3-amino-2,2-dimethyl-3-(5-methylfuran-2-yl)propanoate;hydrochloride
CID 171243740
2-(1,1-difluoropropyl)-5-methylfuran
CID 116841333
2-ethoxy-1-(5-methylfuran-2-yl)ethanamine
CID 16793106
1-(5-ethylfuran-2-yl)-2,2-dimethylbutan-1-amine
CID 62678424
2-(3,3-dimethylbutan-2-yl)-5-methylfuran
CID 77433390

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-2-methyl-1-(5-methylfuran-2-yl)butan-1-amine?
The IUPAC name of 2-fluoro-2-methyl-1-(5-methylfuran-2-yl)butan-1-amine (CID 143080455) is 2-fluoro-2-methyl-1-(5-methylfuran-2-yl)butan-1-amine.
What is the SMILES notation for 2-fluoro-2-methyl-1-(5-methylfuran-2-yl)butan-1-amine?
The canonical SMILES for 2-fluoro-2-methyl-1-(5-methylfuran-2-yl)butan-1-amine is CCC(C)(F)C(N)c1ccc(C)o1.
What is the InChIKey of 2-fluoro-2-methyl-1-(5-methylfuran-2-yl)butan-1-amine?
The InChIKey is FGLIFMPLDIPZEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16FNO/c1-4-10(3,11)9(12)8-6-5-7(2)13-8/h5-6,9H,4,12H2,1-3H3.
What are the key properties of 2-fluoro-2-methyl-1-(5-methylfuran-2-yl)butan-1-amine?
2-fluoro-2-methyl-1-(5-methylfuran-2-yl)butan-1-amine has a molecular weight of 185.24 g/mol, XLogP of 2.73, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-2-methyl-1-(5-methylfuran-2-yl)butan-1-amine is sourced from PubChem (CID 143080455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).