1-[[5-(4-fluoro-2-methylphenyl)furan-2-yl]methylamino]-3-methylbutan-2-ol

C17H22FNO2 — CID 119134619

IUPAC1-[[5-(4-fluoro-2-methylphenyl)furan-2-yl]methylamino]-3-methylbutan-2-ol
SMILESCc1cc(F)ccc1-c1ccc(CNCC(O)C(C)C)o1
InChIInChI=1S/C17H22FNO2/c1-11(2)16(20)10-19-9-14-5-7-17(21-14)15-6-4-13(18)8-12(15)3/h4-8,11,16,19-20H,9-10H2,1-3H3
InChIKeyWVTXFNNIDOLRAB-UHFFFAOYSA-N
MW291.37 g/mol
LogP3.50
Rot. Bonds6

About 1-[[5-(4-fluoro-2-methylphenyl)furan-2-yl]methylamino]-3-methylbutan-2-ol

1-[[5-(4-fluoro-2-methylphenyl)furan-2-yl]methylamino]-3-methylbutan-2-ol (PubChem CID 119134619) has the molecular formula C17H22FNO2 and a molecular weight of 291.37 g/mol. Its IUPAC name is 1-[[5-(4-fluoro-2-methylphenyl)furan-2-yl]methylamino]-3-methylbutan-2-ol.

Molecular Properties

Compound Name1-[[5-(4-fluoro-2-methylphenyl)furan-2-yl]methylamino]-3-methylbutan-2-ol
PubChem CID119134619
Molecular FormulaC17H22FNO2
Molecular Weight291.37 g/mol
Exact Mass291.16
IUPAC Name1-[[5-(4-fluoro-2-methylphenyl)furan-2-yl]methylamino]-3-methylbutan-2-ol
SMILESCc1cc(F)ccc1-c1ccc(CNCC(O)C(C)C)o1
InChIInChI=1S/C17H22FNO2/c1-11(2)16(20)10-19-9-14-5-7-17(21-14)15-6-4-13(18)8-12(15)3/h4-8,11,16,19-20H,9-10H2,1-3H3
InChIKeyWVTXFNNIDOLRAB-UHFFFAOYSA-N
XLogP3.50
TPSA45.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.37
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[[5-(4-fluoro-2-methylphenyl)furan-2-yl]methylamino]-3-methylbutan-2-ol?
The IUPAC name of 1-[[5-(4-fluoro-2-methylphenyl)furan-2-yl]methylamino]-3-methylbutan-2-ol (CID 119134619) is 1-[[5-(4-fluoro-2-methylphenyl)furan-2-yl]methylamino]-3-methylbutan-2-ol.
What is the SMILES notation for 1-[[5-(4-fluoro-2-methylphenyl)furan-2-yl]methylamino]-3-methylbutan-2-ol?
The canonical SMILES for 1-[[5-(4-fluoro-2-methylphenyl)furan-2-yl]methylamino]-3-methylbutan-2-ol is Cc1cc(F)ccc1-c1ccc(CNCC(O)C(C)C)o1.
What is the InChIKey of 1-[[5-(4-fluoro-2-methylphenyl)furan-2-yl]methylamino]-3-methylbutan-2-ol?
The InChIKey is WVTXFNNIDOLRAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22FNO2/c1-11(2)16(20)10-19-9-14-5-7-17(21-14)15-6-4-13(18)8-12(15)3/h4-8,11,16,19-20H,9-10H2,1-3H3.
What are the key properties of 1-[[5-(4-fluoro-2-methylphenyl)furan-2-yl]methylamino]-3-methylbutan-2-ol?
1-[[5-(4-fluoro-2-methylphenyl)furan-2-yl]methylamino]-3-methylbutan-2-ol has a molecular weight of 291.37 g/mol, XLogP of 3.50, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[5-(4-fluoro-2-methylphenyl)furan-2-yl]methylamino]-3-methylbutan-2-ol is sourced from PubChem (CID 119134619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).