3-fluoro-2-methyl-2-(5-methylfuran-2-yl)propan-1-amine

C9H14FNO — CID 83816266

IUPAC3-fluoro-2-methyl-2-(5-methylfuran-2-yl)propan-1-amine
SMILESCc1ccc(C(C)(CN)CF)o1
InChIInChI=1S/C9H14FNO/c1-7-3-4-8(12-7)9(2,5-10)6-11/h3-4H,5-6,11H2,1-2H3
InChIKeyDOPIKIKLVUWWMM-UHFFFAOYSA-N
MW171.22 g/mol
LogP1.77
Rot. Bonds3

About 3-fluoro-2-methyl-2-(5-methylfuran-2-yl)propan-1-amine

3-fluoro-2-methyl-2-(5-methylfuran-2-yl)propan-1-amine (PubChem CID 83816266) has the molecular formula C9H14FNO and a molecular weight of 171.22 g/mol. Its IUPAC name is 3-fluoro-2-methyl-2-(5-methylfuran-2-yl)propan-1-amine.

Molecular Properties

Compound Name3-fluoro-2-methyl-2-(5-methylfuran-2-yl)propan-1-amine
PubChem CID83816266
Molecular FormulaC9H14FNO
Molecular Weight171.22 g/mol
Exact Mass171.11
IUPAC Name3-fluoro-2-methyl-2-(5-methylfuran-2-yl)propan-1-amine
SMILESCc1ccc(C(C)(CN)CF)o1
InChIInChI=1S/C9H14FNO/c1-7-3-4-8(12-7)9(2,5-10)6-11/h3-4H,5-6,11H2,1-2H3
InChIKeyDOPIKIKLVUWWMM-UHFFFAOYSA-N
XLogP1.77
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.22
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-2-methyl-2-(5-methylfuran-2-yl)propan-1-amine?
The IUPAC name of 3-fluoro-2-methyl-2-(5-methylfuran-2-yl)propan-1-amine (CID 83816266) is 3-fluoro-2-methyl-2-(5-methylfuran-2-yl)propan-1-amine.
What is the SMILES notation for 3-fluoro-2-methyl-2-(5-methylfuran-2-yl)propan-1-amine?
The canonical SMILES for 3-fluoro-2-methyl-2-(5-methylfuran-2-yl)propan-1-amine is Cc1ccc(C(C)(CN)CF)o1.
What is the InChIKey of 3-fluoro-2-methyl-2-(5-methylfuran-2-yl)propan-1-amine?
The InChIKey is DOPIKIKLVUWWMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14FNO/c1-7-3-4-8(12-7)9(2,5-10)6-11/h3-4H,5-6,11H2,1-2H3.
What are the key properties of 3-fluoro-2-methyl-2-(5-methylfuran-2-yl)propan-1-amine?
3-fluoro-2-methyl-2-(5-methylfuran-2-yl)propan-1-amine has a molecular weight of 171.22 g/mol, XLogP of 1.77, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-2-methyl-2-(5-methylfuran-2-yl)propan-1-amine is sourced from PubChem (CID 83816266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).