(2S)-2-fluoro-3-(2-methylpropoxy)propan-1-amine

C7H16FNO — CID 138478737

IUPAC(2S)-2-fluoro-3-(2-methylpropoxy)propan-1-amine
SMILESCC(C)COC[C@@H](F)CN
InChIInChI=1S/C7H16FNO/c1-6(2)4-10-5-7(8)3-9/h6-7H,3-5,9H2,1-2H3/t7-/m0/s1
InChIKeyFAYQFCCZNKIZAL-ZETCQYMHSA-N
MW149.21 g/mol
LogP0.96
Rot. Bonds5

About (2S)-2-fluoro-3-(2-methylpropoxy)propan-1-amine

(2S)-2-fluoro-3-(2-methylpropoxy)propan-1-amine (PubChem CID 138478737) has the molecular formula C7H16FNO and a molecular weight of 149.21 g/mol. Its IUPAC name is (2S)-2-fluoro-3-(2-methylpropoxy)propan-1-amine.

Molecular Properties

Compound Name(2S)-2-fluoro-3-(2-methylpropoxy)propan-1-amine
PubChem CID138478737
Molecular FormulaC7H16FNO
Molecular Weight149.21 g/mol
Exact Mass149.12
IUPAC Name(2S)-2-fluoro-3-(2-methylpropoxy)propan-1-amine
SMILESCC(C)COC[C@@H](F)CN
InChIInChI=1S/C7H16FNO/c1-6(2)4-10-5-7(8)3-9/h6-7H,3-5,9H2,1-2H3/t7-/m0/s1
InChIKeyFAYQFCCZNKIZAL-ZETCQYMHSA-N
XLogP0.96
TPSA35.25 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 ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (2S)-2-fluoro-3-(2-methylpropoxy)propan-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

Frequently Asked Questions

What is the IUPAC name of (2S)-2-fluoro-3-(2-methylpropoxy)propan-1-amine?
The IUPAC name of (2S)-2-fluoro-3-(2-methylpropoxy)propan-1-amine (CID 138478737) is (2S)-2-fluoro-3-(2-methylpropoxy)propan-1-amine.
What is the SMILES notation for (2S)-2-fluoro-3-(2-methylpropoxy)propan-1-amine?
The canonical SMILES for (2S)-2-fluoro-3-(2-methylpropoxy)propan-1-amine is CC(C)COC[C@@H](F)CN.
What is the InChIKey of (2S)-2-fluoro-3-(2-methylpropoxy)propan-1-amine?
The InChIKey is FAYQFCCZNKIZAL-ZETCQYMHSA-N. The full InChI is InChI=1S/C7H16FNO/c1-6(2)4-10-5-7(8)3-9/h6-7H,3-5,9H2,1-2H3/t7-/m0/s1.
What are the key properties of (2S)-2-fluoro-3-(2-methylpropoxy)propan-1-amine?
(2S)-2-fluoro-3-(2-methylpropoxy)propan-1-amine has a molecular weight of 149.21 g/mol, XLogP of 0.96, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-fluoro-3-(2-methylpropoxy)propan-1-amine is sourced from PubChem (CID 138478737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).