[3-fluoro-2-(2-methylidenebutoxy)phenyl]methanamine

C12H16FNO — CID 112608162

IUPAC[3-fluoro-2-(2-methylidenebutoxy)phenyl]methanamine
SMILESC=C(CC)COc1c(F)cccc1CN
InChIInChI=1S/C12H16FNO/c1-3-9(2)8-15-12-10(7-14)5-4-6-11(12)13/h4-6H,2-3,7-8,14H2,1H3
InChIKeyYXJMGVZHORXCJV-UHFFFAOYSA-N
MW209.26 g/mol
LogP2.63
Rot. Bonds5

About [3-fluoro-2-(2-methylidenebutoxy)phenyl]methanamine

[3-fluoro-2-(2-methylidenebutoxy)phenyl]methanamine (PubChem CID 112608162) has the molecular formula C12H16FNO and a molecular weight of 209.26 g/mol. Its IUPAC name is [3-fluoro-2-(2-methylidenebutoxy)phenyl]methanamine.

Molecular Properties

Compound Name[3-fluoro-2-(2-methylidenebutoxy)phenyl]methanamine
PubChem CID112608162
Molecular FormulaC12H16FNO
Molecular Weight209.26 g/mol
Exact Mass209.12
IUPAC Name[3-fluoro-2-(2-methylidenebutoxy)phenyl]methanamine
SMILESC=C(CC)COc1c(F)cccc1CN
InChIInChI=1S/C12H16FNO/c1-3-9(2)8-15-12-10(7-14)5-4-6-11(12)13/h4-6H,2-3,7-8,14H2,1H3
InChIKeyYXJMGVZHORXCJV-UHFFFAOYSA-N
XLogP2.63
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.26
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze [3-fluoro-2-(2-methylidenebutoxy)phenyl]methanamine with MolForge

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

Launch Full Analysis

Related Compounds

[3-methyl-2-(2-methylidenebutoxy)phenyl]methanamine
CID 112607493
[2-(2-bromoprop-2-enoxy)-3-fluorophenyl]methanamine
CID 112608217
N-[[3-fluoro-2-(2-methylidenebutoxy)phenyl]methyl]propan-2-amine
CID 112610694
2-[2-(aminomethyl)-6-fluorophenoxy]acetamide
CID 112608115
[2-[(Z)-3-chloro-2-methylprop-2-enoxy]-3-fluorophenyl]methanamine
CID 106437085
[3-fluoro-2-(2-methylprop-2-enoxy)phenyl]methanol
CID 112613056
1,3-dimethyl-2-(2-methylidenebutoxy)benzene
CID 83056814
[2-(2-ethylsulfonylethoxy)-3-fluorophenyl]methanamine
CID 112607984
2-[2-(aminomethyl)-6-fluorophenoxy]-N-(cyanomethyl)acetamide
CID 112607908
2-[2-(aminomethyl)-6-fluorophenoxy]-N-(2-methoxyethyl)acetamide
CID 112608108
2-[2-(aminomethyl)-6-fluorophenoxy]-N-(4-methylphenyl)acetamide
CID 115952056
[3-fluoro-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]methanamine
CID 112607929

Frequently Asked Questions

What is the IUPAC name of [3-fluoro-2-(2-methylidenebutoxy)phenyl]methanamine?
The IUPAC name of [3-fluoro-2-(2-methylidenebutoxy)phenyl]methanamine (CID 112608162) is [3-fluoro-2-(2-methylidenebutoxy)phenyl]methanamine.
What is the SMILES notation for [3-fluoro-2-(2-methylidenebutoxy)phenyl]methanamine?
The canonical SMILES for [3-fluoro-2-(2-methylidenebutoxy)phenyl]methanamine is C=C(CC)COc1c(F)cccc1CN.
What is the InChIKey of [3-fluoro-2-(2-methylidenebutoxy)phenyl]methanamine?
The InChIKey is YXJMGVZHORXCJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FNO/c1-3-9(2)8-15-12-10(7-14)5-4-6-11(12)13/h4-6H,2-3,7-8,14H2,1H3.
What are the key properties of [3-fluoro-2-(2-methylidenebutoxy)phenyl]methanamine?
[3-fluoro-2-(2-methylidenebutoxy)phenyl]methanamine has a molecular weight of 209.26 g/mol, XLogP of 2.63, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-fluoro-2-(2-methylidenebutoxy)phenyl]methanamine is sourced from PubChem (CID 112608162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).