[5-fluoro-2-(pentan-2-yloxymethyl)phenyl]methanamine

C13H20FNO — CID 102980854

IUPAC[5-fluoro-2-(pentan-2-yloxymethyl)phenyl]methanamine
SMILESCCCC(C)OCc1ccc(F)cc1CN
InChIInChI=1S/C13H20FNO/c1-3-4-10(2)16-9-11-5-6-13(14)7-12(11)8-15/h5-7,10H,3-4,8-9,15H2,1-2H3
InChIKeyJMCASOJNDUTKCW-UHFFFAOYSA-N
MW225.31 g/mol
LogP2.99
Rot. Bonds6

About [5-fluoro-2-(pentan-2-yloxymethyl)phenyl]methanamine

[5-fluoro-2-(pentan-2-yloxymethyl)phenyl]methanamine (PubChem CID 102980854) has the molecular formula C13H20FNO and a molecular weight of 225.31 g/mol. Its IUPAC name is [5-fluoro-2-(pentan-2-yloxymethyl)phenyl]methanamine.

Molecular Properties

Compound Name[5-fluoro-2-(pentan-2-yloxymethyl)phenyl]methanamine
PubChem CID102980854
Molecular FormulaC13H20FNO
Molecular Weight225.31 g/mol
Exact Mass225.15
IUPAC Name[5-fluoro-2-(pentan-2-yloxymethyl)phenyl]methanamine
SMILESCCCC(C)OCc1ccc(F)cc1CN
InChIInChI=1S/C13H20FNO/c1-3-4-10(2)16-9-11-5-6-13(14)7-12(11)8-15/h5-7,10H,3-4,8-9,15H2,1-2H3
InChIKeyJMCASOJNDUTKCW-UHFFFAOYSA-N
XLogP2.99
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.31
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze [5-fluoro-2-(pentan-2-yloxymethyl)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

[5-fluoro-2-(methoxymethyl)phenyl]methanamine
CID 63289386
(E)-3-[5-fluoro-2-(pentan-2-yloxymethyl)phenyl]prop-2-enoic acid
CID 102983295
4-bromo-2-fluoro-1-(pentan-2-yloxymethyl)benzene
CID 102983194
[2-(aminomethyl)-4-fluorophenyl]methanamine
CID 44784876
[5-fluoro-2-(hexoxymethyl)phenyl]methanamine
CID 63289474
2-bromo-4-fluoro-1-(octan-2-yloxymethyl)benzene
CID 63457034
[2-[(4-butan-2-ylphenoxy)methyl]-5-fluorophenyl]methanamine
CID 107664056
[4-fluoro-2-(3-methylbutoxymethyl)phenyl]methanamine
CID 64764838
4-chloro-3-(pentan-2-yloxymethyl)aniline
CID 102980604
3-[4-methoxy-3-(pentan-2-yloxymethyl)phenyl]prop-2-yn-1-amine
CID 102983240
4-methoxy-2-[[(2R)-pentan-2-yl]oxymethyl]aniline
CID 125458342
4-(butan-2-yloxymethyl)-3-fluoroaniline
CID 64768893

Frequently Asked Questions

What is the IUPAC name of [5-fluoro-2-(pentan-2-yloxymethyl)phenyl]methanamine?
The IUPAC name of [5-fluoro-2-(pentan-2-yloxymethyl)phenyl]methanamine (CID 102980854) is [5-fluoro-2-(pentan-2-yloxymethyl)phenyl]methanamine.
What is the SMILES notation for [5-fluoro-2-(pentan-2-yloxymethyl)phenyl]methanamine?
The canonical SMILES for [5-fluoro-2-(pentan-2-yloxymethyl)phenyl]methanamine is CCCC(C)OCc1ccc(F)cc1CN.
What is the InChIKey of [5-fluoro-2-(pentan-2-yloxymethyl)phenyl]methanamine?
The InChIKey is JMCASOJNDUTKCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20FNO/c1-3-4-10(2)16-9-11-5-6-13(14)7-12(11)8-15/h5-7,10H,3-4,8-9,15H2,1-2H3.
What are the key properties of [5-fluoro-2-(pentan-2-yloxymethyl)phenyl]methanamine?
[5-fluoro-2-(pentan-2-yloxymethyl)phenyl]methanamine has a molecular weight of 225.31 g/mol, XLogP of 2.99, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [5-fluoro-2-(pentan-2-yloxymethyl)phenyl]methanamine is sourced from PubChem (CID 102980854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).