4-fluoro-1-methoxy-N-methylpentan-2-amine

C7H16FNO — CID 168881193

IUPAC4-fluoro-1-methoxy-N-methylpentan-2-amine
SMILESCNC(COC)CC(C)F
InChIInChI=1S/C7H16FNO/c1-6(8)4-7(9-2)5-10-3/h6-7,9H,4-5H2,1-3H3
InChIKeyKMVUDAKJDIBQKB-UHFFFAOYSA-N
MW149.21 g/mol
LogP0.97
Rot. Bonds5

About 4-fluoro-1-methoxy-N-methylpentan-2-amine

4-fluoro-1-methoxy-N-methylpentan-2-amine (PubChem CID 168881193) has the molecular formula C7H16FNO and a molecular weight of 149.21 g/mol. Its IUPAC name is 4-fluoro-1-methoxy-N-methylpentan-2-amine.

Molecular Properties

Compound Name4-fluoro-1-methoxy-N-methylpentan-2-amine
PubChem CID168881193
Molecular FormulaC7H16FNO
Molecular Weight149.21 g/mol
Exact Mass149.12
IUPAC Name4-fluoro-1-methoxy-N-methylpentan-2-amine
SMILESCNC(COC)CC(C)F
InChIInChI=1S/C7H16FNO/c1-6(8)4-7(9-2)5-10-3/h6-7,9H,4-5H2,1-3H3
InChIKeyKMVUDAKJDIBQKB-UHFFFAOYSA-N
XLogP0.97
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.21
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-fluoro-1-methoxy-N-methylpentan-2-amine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-1-methoxy-N-methylpentan-2-amine?
The IUPAC name of 4-fluoro-1-methoxy-N-methylpentan-2-amine (CID 168881193) is 4-fluoro-1-methoxy-N-methylpentan-2-amine.
What is the SMILES notation for 4-fluoro-1-methoxy-N-methylpentan-2-amine?
The canonical SMILES for 4-fluoro-1-methoxy-N-methylpentan-2-amine is CNC(COC)CC(C)F.
What is the InChIKey of 4-fluoro-1-methoxy-N-methylpentan-2-amine?
The InChIKey is KMVUDAKJDIBQKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16FNO/c1-6(8)4-7(9-2)5-10-3/h6-7,9H,4-5H2,1-3H3.
What are the key properties of 4-fluoro-1-methoxy-N-methylpentan-2-amine?
4-fluoro-1-methoxy-N-methylpentan-2-amine has a molecular weight of 149.21 g/mol, XLogP of 0.97, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-1-methoxy-N-methylpentan-2-amine is sourced from PubChem (CID 168881193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).