1-[3-fluoro-4-(methoxymethyl)phenyl]ethanamine

C10H14FNO — CID 68724116

IUPAC1-[3-fluoro-4-(methoxymethyl)phenyl]ethanamine
SMILESCOCc1ccc(C(C)N)cc1F
InChIInChI=1S/C10H14FNO/c1-7(12)8-3-4-9(6-13-2)10(11)5-8/h3-5,7H,6,12H2,1-2H3
InChIKeyCWXJLIKGKZMMNF-UHFFFAOYSA-N
MW183.23 g/mol
LogP1.99
Rot. Bonds3

About 1-[3-fluoro-4-(methoxymethyl)phenyl]ethanamine

1-[3-fluoro-4-(methoxymethyl)phenyl]ethanamine (PubChem CID 68724116) has the molecular formula C10H14FNO and a molecular weight of 183.23 g/mol. Its IUPAC name is 1-[3-fluoro-4-(methoxymethyl)phenyl]ethanamine.

Molecular Properties

Compound Name1-[3-fluoro-4-(methoxymethyl)phenyl]ethanamine
PubChem CID68724116
Molecular FormulaC10H14FNO
Molecular Weight183.23 g/mol
Exact Mass183.11
IUPAC Name1-[3-fluoro-4-(methoxymethyl)phenyl]ethanamine
SMILESCOCc1ccc(C(C)N)cc1F
InChIInChI=1S/C10H14FNO/c1-7(12)8-3-4-9(6-13-2)10(11)5-8/h3-5,7H,6,12H2,1-2H3
InChIKeyCWXJLIKGKZMMNF-UHFFFAOYSA-N
XLogP1.99
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.23
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-[3-fluoro-4-(methoxymethyl)phenyl]ethanamine 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 1-[3-fluoro-4-(methoxymethyl)phenyl]ethanamine?
The IUPAC name of 1-[3-fluoro-4-(methoxymethyl)phenyl]ethanamine (CID 68724116) is 1-[3-fluoro-4-(methoxymethyl)phenyl]ethanamine.
What is the SMILES notation for 1-[3-fluoro-4-(methoxymethyl)phenyl]ethanamine?
The canonical SMILES for 1-[3-fluoro-4-(methoxymethyl)phenyl]ethanamine is COCc1ccc(C(C)N)cc1F.
What is the InChIKey of 1-[3-fluoro-4-(methoxymethyl)phenyl]ethanamine?
The InChIKey is CWXJLIKGKZMMNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14FNO/c1-7(12)8-3-4-9(6-13-2)10(11)5-8/h3-5,7H,6,12H2,1-2H3.
What are the key properties of 1-[3-fluoro-4-(methoxymethyl)phenyl]ethanamine?
1-[3-fluoro-4-(methoxymethyl)phenyl]ethanamine has a molecular weight of 183.23 g/mol, XLogP of 1.99, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-fluoro-4-(methoxymethyl)phenyl]ethanamine is sourced from PubChem (CID 68724116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).