[5-fluoro-2-(methoxymethyl)phenyl]methanamine

C9H12FNO — CID 63289386

IUPAC[5-fluoro-2-(methoxymethyl)phenyl]methanamine
SMILESCOCc1ccc(F)cc1CN
InChIInChI=1S/C9H12FNO/c1-12-6-7-2-3-9(10)4-8(7)5-11/h2-4H,5-6,11H2,1H3
InChIKeyRDKWAYGVUIMSJX-UHFFFAOYSA-N
MW169.20 g/mol
LogP1.43
Rot. Bonds3

About [5-fluoro-2-(methoxymethyl)phenyl]methanamine

[5-fluoro-2-(methoxymethyl)phenyl]methanamine (PubChem CID 63289386) has the molecular formula C9H12FNO and a molecular weight of 169.20 g/mol. Its IUPAC name is [5-fluoro-2-(methoxymethyl)phenyl]methanamine.

Molecular Properties

Compound Name[5-fluoro-2-(methoxymethyl)phenyl]methanamine
PubChem CID63289386
Molecular FormulaC9H12FNO
Molecular Weight169.20 g/mol
Exact Mass169.09
IUPAC Name[5-fluoro-2-(methoxymethyl)phenyl]methanamine
SMILESCOCc1ccc(F)cc1CN
InChIInChI=1S/C9H12FNO/c1-12-6-7-2-3-9(10)4-8(7)5-11/h2-4H,5-6,11H2,1H3
InChIKeyRDKWAYGVUIMSJX-UHFFFAOYSA-N
XLogP1.43
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.20
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[2-(aminomethyl)-4-fluorophenyl]methanamine
CID 44784876
(5-fluoro-2-methoxyphenyl)methanamine
CID 18348829
3-[4-fluoro-2-(methoxymethyl)phenyl]propan-1-amine
CID 117287231
4-fluoro-2-(methoxymethyl)aniline;hydrochloride
CID 75481190
2-[5-fluoro-2-(methoxymethyl)phenyl]acetaldehyde
CID 83876007
1-[4-fluoro-2-(methoxymethyl)phenyl]propan-2-amine
CID 117287117
1-ethynyl-4-fluoro-2-(methoxymethyl)benzene
CID 143664546
[5-fluoro-2-(pentan-2-yloxymethyl)phenyl]methanamine
CID 102980854
[5-fluoro-2-(hexoxymethyl)phenyl]methanamine
CID 63289474
[2-[(4-bromophenoxy)methyl]-5-fluorophenyl]methanamine
CID 63289311
4-fluoro-2-(methoxymethyl)benzenesulfonamide
CID 83271454
4-fluoro-2-(methoxymethyl)benzenecarbothioamide
CID 64765248

Frequently Asked Questions

What is the IUPAC name of [5-fluoro-2-(methoxymethyl)phenyl]methanamine?
The IUPAC name of [5-fluoro-2-(methoxymethyl)phenyl]methanamine (CID 63289386) is [5-fluoro-2-(methoxymethyl)phenyl]methanamine.
What is the SMILES notation for [5-fluoro-2-(methoxymethyl)phenyl]methanamine?
The canonical SMILES for [5-fluoro-2-(methoxymethyl)phenyl]methanamine is COCc1ccc(F)cc1CN.
What is the InChIKey of [5-fluoro-2-(methoxymethyl)phenyl]methanamine?
The InChIKey is RDKWAYGVUIMSJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12FNO/c1-12-6-7-2-3-9(10)4-8(7)5-11/h2-4H,5-6,11H2,1H3.
What are the key properties of [5-fluoro-2-(methoxymethyl)phenyl]methanamine?
[5-fluoro-2-(methoxymethyl)phenyl]methanamine has a molecular weight of 169.20 g/mol, XLogP of 1.43, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [5-fluoro-2-(methoxymethyl)phenyl]methanamine is sourced from PubChem (CID 63289386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).