1-[4-(1-fluoroethyl)-2,5-dimethoxyphenyl]-N-methoxymethanamine

C12H18FNO3 — CID 117359818

IUPAC1-[4-(1-fluoroethyl)-2,5-dimethoxyphenyl]-N-methoxymethanamine
SMILESCONCc1cc(OC)c(C(C)F)cc1OC
InChIInChI=1S/C12H18FNO3/c1-8(13)10-6-11(15-2)9(7-14-17-4)5-12(10)16-3/h5-6,8,14H,7H2,1-4H3
InChIKeyLWYNEPKHXSTBLI-UHFFFAOYSA-N
MW243.28 g/mol
LogP2.39
Rot. Bonds6

About 1-[4-(1-fluoroethyl)-2,5-dimethoxyphenyl]-N-methoxymethanamine

1-[4-(1-fluoroethyl)-2,5-dimethoxyphenyl]-N-methoxymethanamine (PubChem CID 117359818) has the molecular formula C12H18FNO3 and a molecular weight of 243.28 g/mol. Its IUPAC name is 1-[4-(1-fluoroethyl)-2,5-dimethoxyphenyl]-N-methoxymethanamine.

Molecular Properties

Compound Name1-[4-(1-fluoroethyl)-2,5-dimethoxyphenyl]-N-methoxymethanamine
PubChem CID117359818
Molecular FormulaC12H18FNO3
Molecular Weight243.28 g/mol
Exact Mass243.13
IUPAC Name1-[4-(1-fluoroethyl)-2,5-dimethoxyphenyl]-N-methoxymethanamine
SMILESCONCc1cc(OC)c(C(C)F)cc1OC
InChIInChI=1S/C12H18FNO3/c1-8(13)10-6-11(15-2)9(7-14-17-4)5-12(10)16-3/h5-6,8,14H,7H2,1-4H3
InChIKeyLWYNEPKHXSTBLI-UHFFFAOYSA-N
XLogP2.39
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.28
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-[4-(fluoromethyl)-2,5-dimethoxyphenyl]-N-methoxymethanamine
CID 117330350
1-(5-bromo-2-methoxy-4-propan-2-ylphenyl)-N-methoxymethanamine
CID 117465379
3-[4-(1-fluoroethyl)-2,5-dimethoxyphenyl]propan-1-amine
CID 117355471
1-[5-(fluoromethyl)-2,4-dimethoxyphenyl]-N-methoxymethanamine
CID 117330353
1-(4-chloro-2,5-dimethoxyphenyl)-N-methoxymethanamine
CID 117335514
2-[5-(1-fluoroethyl)-2,4-dimethoxyphenyl]ethanamine
CID 117327151
1-[5-(1-fluoroethyl)-2,4-dimethoxyphenyl]propan-2-amine
CID 117355444
N-[[2-(difluoromethyl)-4,5-dimethoxyphenyl]methyl]hydroxylamine
CID 117337439
[4-(difluoromethyl)-2,5-dimethoxyphenyl]methanamine
CID 84682512
1-(2,5-dimethoxy-4-pyrrolidin-1-ylphenyl)-N-methoxymethanamine
CID 117420098
3-[2-(1-fluoroethyl)-4,5-dimethoxyphenyl]propan-1-amine
CID 117355470
2-[4-(difluoromethyl)-2,5-dimethoxyphenyl]-N-methylethanamine
CID 117364649

Frequently Asked Questions

What is the IUPAC name of 1-[4-(1-fluoroethyl)-2,5-dimethoxyphenyl]-N-methoxymethanamine?
The IUPAC name of 1-[4-(1-fluoroethyl)-2,5-dimethoxyphenyl]-N-methoxymethanamine (CID 117359818) is 1-[4-(1-fluoroethyl)-2,5-dimethoxyphenyl]-N-methoxymethanamine.
What is the SMILES notation for 1-[4-(1-fluoroethyl)-2,5-dimethoxyphenyl]-N-methoxymethanamine?
The canonical SMILES for 1-[4-(1-fluoroethyl)-2,5-dimethoxyphenyl]-N-methoxymethanamine is CONCc1cc(OC)c(C(C)F)cc1OC.
What is the InChIKey of 1-[4-(1-fluoroethyl)-2,5-dimethoxyphenyl]-N-methoxymethanamine?
The InChIKey is LWYNEPKHXSTBLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18FNO3/c1-8(13)10-6-11(15-2)9(7-14-17-4)5-12(10)16-3/h5-6,8,14H,7H2,1-4H3.
What are the key properties of 1-[4-(1-fluoroethyl)-2,5-dimethoxyphenyl]-N-methoxymethanamine?
1-[4-(1-fluoroethyl)-2,5-dimethoxyphenyl]-N-methoxymethanamine has a molecular weight of 243.28 g/mol, XLogP of 2.39, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(1-fluoroethyl)-2,5-dimethoxyphenyl]-N-methoxymethanamine is sourced from PubChem (CID 117359818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).