4-fluoro-N-(methoxymethyl)aniline

C8H10FNO — CID 14532460

IUPAC4-fluoro-N-(methoxymethyl)aniline
SMILESCOCNc1ccc(F)cc1
InChIInChI=1S/C8H10FNO/c1-11-6-10-8-4-2-7(9)3-5-8/h2-5,10H,6H2,1H3
InChIKeyQQVVWEDILJQZGL-UHFFFAOYSA-N
MW155.17 g/mol
LogP1.84
Rot. Bonds3

About 4-fluoro-N-(methoxymethyl)aniline

4-fluoro-N-(methoxymethyl)aniline (PubChem CID 14532460) has the molecular formula C8H10FNO and a molecular weight of 155.17 g/mol. Its IUPAC name is 4-fluoro-N-(methoxymethyl)aniline.

Molecular Properties

Compound Name4-fluoro-N-(methoxymethyl)aniline
PubChem CID14532460
Molecular FormulaC8H10FNO
Molecular Weight155.17 g/mol
Exact Mass155.07
IUPAC Name4-fluoro-N-(methoxymethyl)aniline
SMILESCOCNc1ccc(F)cc1
InChIInChI=1S/C8H10FNO/c1-11-6-10-8-4-2-7(9)3-5-8/h2-5,10H,6H2,1H3
InChIKeyQQVVWEDILJQZGL-UHFFFAOYSA-N
XLogP1.84
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.17
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

N-[(4-fluorophenyl)methyl]-4-(methoxymethyl)aniline
CID 83961111
N-(4-fluorophenyl)-N'-(2-methoxyethyl)-N'-(1-methoxypropan-2-yl)ethane-1,2-diamine
CID 62558387
4-fluoro-N-[2-(3-methoxypropylsulfanyl)ethyl]aniline
CID 63856173
4-isocyanato-N-(methoxymethyl)aniline
CID 129262279
4-fluoro-N-[(5-fluoro-2-methoxyphenyl)methyl]aniline
CID 82131275
1-N-(4-fluorophenyl)-3-methylbutane-1,2-diamine
CID 83955072
4-fluoro-N-[(4-fluorophenyl)methyl]aniline
CID 1133337
N-(4,4-dimethylpentyl)-4-fluoroaniline
CID 69410381
4-fluoro-N-heptylaniline
CID 43129312
N-(2-ethylpentyl)-4-fluoroaniline
CID 102338338
N-(2-butoxyethyl)-4-fluoroaniline
CID 61482924
2-(4-fluoroanilino)-1-(4-fluorophenyl)ethanol
CID 60719916

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-(methoxymethyl)aniline?
The IUPAC name of 4-fluoro-N-(methoxymethyl)aniline (CID 14532460) is 4-fluoro-N-(methoxymethyl)aniline.
What is the SMILES notation for 4-fluoro-N-(methoxymethyl)aniline?
The canonical SMILES for 4-fluoro-N-(methoxymethyl)aniline is COCNc1ccc(F)cc1.
What is the InChIKey of 4-fluoro-N-(methoxymethyl)aniline?
The InChIKey is QQVVWEDILJQZGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10FNO/c1-11-6-10-8-4-2-7(9)3-5-8/h2-5,10H,6H2,1H3.
What are the key properties of 4-fluoro-N-(methoxymethyl)aniline?
4-fluoro-N-(methoxymethyl)aniline has a molecular weight of 155.17 g/mol, XLogP of 1.84, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-(methoxymethyl)aniline is sourced from PubChem (CID 14532460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).