1-fluoro-2-methyl-1-(4-methylfuran-3-yl)propan-2-amine

C9H14FNO — CID 130972166

IUPAC1-fluoro-2-methyl-1-(4-methylfuran-3-yl)propan-2-amine
SMILESCc1cocc1C(F)C(C)(C)N
InChIInChI=1S/C9H14FNO/c1-6-4-12-5-7(6)8(10)9(2,3)11/h4-5,8H,11H2,1-3H3
InChIKeyROKMTFSOARGFMO-UHFFFAOYSA-N
MW171.21 g/mol
LogP2.34
Rot. Bonds2

About 1-fluoro-2-methyl-1-(4-methylfuran-3-yl)propan-2-amine

1-fluoro-2-methyl-1-(4-methylfuran-3-yl)propan-2-amine (PubChem CID 130972166) has the molecular formula C9H14FNO and a molecular weight of 171.21 g/mol. Its IUPAC name is 1-fluoro-2-methyl-1-(4-methylfuran-3-yl)propan-2-amine.

Molecular Properties

Compound Name1-fluoro-2-methyl-1-(4-methylfuran-3-yl)propan-2-amine
PubChem CID130972166
Molecular FormulaC9H14FNO
Molecular Weight171.21 g/mol
Exact Mass171.11
IUPAC Name1-fluoro-2-methyl-1-(4-methylfuran-3-yl)propan-2-amine
SMILESCc1cocc1C(F)C(C)(C)N
InChIInChI=1S/C9H14FNO/c1-6-4-12-5-7(6)8(10)9(2,3)11/h4-5,8H,11H2,1-3H3
InChIKeyROKMTFSOARGFMO-UHFFFAOYSA-N
XLogP2.34
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.21
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-fluoro-2-methyl-1-(4-methylfuran-3-yl)propan-2-amine?
The IUPAC name of 1-fluoro-2-methyl-1-(4-methylfuran-3-yl)propan-2-amine (CID 130972166) is 1-fluoro-2-methyl-1-(4-methylfuran-3-yl)propan-2-amine.
What is the SMILES notation for 1-fluoro-2-methyl-1-(4-methylfuran-3-yl)propan-2-amine?
The canonical SMILES for 1-fluoro-2-methyl-1-(4-methylfuran-3-yl)propan-2-amine is Cc1cocc1C(F)C(C)(C)N.
What is the InChIKey of 1-fluoro-2-methyl-1-(4-methylfuran-3-yl)propan-2-amine?
The InChIKey is ROKMTFSOARGFMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14FNO/c1-6-4-12-5-7(6)8(10)9(2,3)11/h4-5,8H,11H2,1-3H3.
What are the key properties of 1-fluoro-2-methyl-1-(4-methylfuran-3-yl)propan-2-amine?
1-fluoro-2-methyl-1-(4-methylfuran-3-yl)propan-2-amine has a molecular weight of 171.21 g/mol, XLogP of 2.34, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-2-methyl-1-(4-methylfuran-3-yl)propan-2-amine is sourced from PubChem (CID 130972166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).