3-fluoro-4-(furan-3-yl)-2-propan-2-ylbutan-1-amine

C11H18FNO — CID 107443739

IUPAC3-fluoro-4-(furan-3-yl)-2-propan-2-ylbutan-1-amine
SMILESCC(C)C(CN)C(F)Cc1ccoc1
InChIInChI=1S/C11H18FNO/c1-8(2)10(6-13)11(12)5-9-3-4-14-7-9/h3-4,7-8,10-11H,5-6,13H2,1-2H3
InChIKeyGXUDTSQMIPDOBF-UHFFFAOYSA-N
MW199.27 g/mol
LogP2.39
Rot. Bonds5

About 3-fluoro-4-(furan-3-yl)-2-propan-2-ylbutan-1-amine

3-fluoro-4-(furan-3-yl)-2-propan-2-ylbutan-1-amine (PubChem CID 107443739) has the molecular formula C11H18FNO and a molecular weight of 199.27 g/mol. Its IUPAC name is 3-fluoro-4-(furan-3-yl)-2-propan-2-ylbutan-1-amine.

Molecular Properties

Compound Name3-fluoro-4-(furan-3-yl)-2-propan-2-ylbutan-1-amine
PubChem CID107443739
Molecular FormulaC11H18FNO
Molecular Weight199.27 g/mol
Exact Mass199.14
IUPAC Name3-fluoro-4-(furan-3-yl)-2-propan-2-ylbutan-1-amine
SMILESCC(C)C(CN)C(F)Cc1ccoc1
InChIInChI=1S/C11H18FNO/c1-8(2)10(6-13)11(12)5-9-3-4-14-7-9/h3-4,7-8,10-11H,5-6,13H2,1-2H3
InChIKeyGXUDTSQMIPDOBF-UHFFFAOYSA-N
XLogP2.39
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.27
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-fluoro-4-(furan-3-yl)-2-propan-2-ylbutan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(Aminomethyl)-4-(furan-3-yl)butanoic acid
CID 9794064
3-(Furan-2-yl)-3-(p-tolyl)propan-1-amine
CID 2771861
3-Furan-2-yl-3-phenyl-propylamine
CID 3149175
Furan, 3-pentyl-
CID 557608
3-(4,8,12-Trimethyltridecyl)furan
CID 185776
[(1S,2S)-2-[4-(furan-2-yl)phenyl]cyclopropyl]methanamine;hydrochloride
CID 44572305
3-(Furan-2-yl)-4-phenylbutan-1-amine
CID 2771863
Microcionin-4
CID 21778335
(4R)-3-(furan-3-ylmethyl)-4-propan-2-ylcyclohex-2-en-1-one
CID 14564120
3-[2-[(1R,6R)-1,2,6-trimethylcyclohex-2-en-1-yl]ethyl]furan
CID 11769943
(4aS,8aS)-4-[2-(furan-3-yl)ethyl]-3,4a,8,8-tetramethyl-1,2,5,6,7,8a-hexahydronaphthalen-2-amine
CID 162642940
3-[[(6R)-3-methylidene-6-propan-2-ylcyclohexen-1-yl]methyl]furan
CID 14564121

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-(furan-3-yl)-2-propan-2-ylbutan-1-amine?
The IUPAC name of 3-fluoro-4-(furan-3-yl)-2-propan-2-ylbutan-1-amine (CID 107443739) is 3-fluoro-4-(furan-3-yl)-2-propan-2-ylbutan-1-amine.
What is the SMILES notation for 3-fluoro-4-(furan-3-yl)-2-propan-2-ylbutan-1-amine?
The canonical SMILES for 3-fluoro-4-(furan-3-yl)-2-propan-2-ylbutan-1-amine is CC(C)C(CN)C(F)Cc1ccoc1.
What is the InChIKey of 3-fluoro-4-(furan-3-yl)-2-propan-2-ylbutan-1-amine?
The InChIKey is GXUDTSQMIPDOBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18FNO/c1-8(2)10(6-13)11(12)5-9-3-4-14-7-9/h3-4,7-8,10-11H,5-6,13H2,1-2H3.
What are the key properties of 3-fluoro-4-(furan-3-yl)-2-propan-2-ylbutan-1-amine?
3-fluoro-4-(furan-3-yl)-2-propan-2-ylbutan-1-amine has a molecular weight of 199.27 g/mol, XLogP of 2.39, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-(furan-3-yl)-2-propan-2-ylbutan-1-amine is sourced from PubChem (CID 107443739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).