1-(3-ethyl-5-fluorophenyl)-N-methoxymethanamine

C10H14FNO — CID 117279572

IUPAC1-(3-ethyl-5-fluorophenyl)-N-methoxymethanamine
SMILESCCc1cc(F)cc(CNOC)c1
InChIInChI=1S/C10H14FNO/c1-3-8-4-9(7-12-13-2)6-10(11)5-8/h4-6,12H,3,7H2,1-2H3
InChIKeyDCYLPAREGBUGST-UHFFFAOYSA-N
MW183.23 g/mol
LogP2.04
Rot. Bonds4

About 1-(3-ethyl-5-fluorophenyl)-N-methoxymethanamine

1-(3-ethyl-5-fluorophenyl)-N-methoxymethanamine (PubChem CID 117279572) has the molecular formula C10H14FNO and a molecular weight of 183.23 g/mol. Its IUPAC name is 1-(3-ethyl-5-fluorophenyl)-N-methoxymethanamine.

Molecular Properties

Compound Name1-(3-ethyl-5-fluorophenyl)-N-methoxymethanamine
PubChem CID117279572
Molecular FormulaC10H14FNO
Molecular Weight183.23 g/mol
Exact Mass183.11
IUPAC Name1-(3-ethyl-5-fluorophenyl)-N-methoxymethanamine
SMILESCCc1cc(F)cc(CNOC)c1
InChIInChI=1S/C10H14FNO/c1-3-8-4-9(7-12-13-2)6-10(11)5-8/h4-6,12H,3,7H2,1-2H3
InChIKeyDCYLPAREGBUGST-UHFFFAOYSA-N
XLogP2.04
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.23
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-methoxy-1-(3,4,5-trifluorophenyl)methanamine
CID 82706221
1-(5-ethyl-2,3-difluorophenyl)-N-methoxymethanamine
CID 117289981
2,6-difluoro-4-[(methoxyamino)methyl]phenol
CID 82707251
1-ethyl-3,5-difluorobenzene;methanamine
CID 154650973
1-(3,5-dimethylphenyl)-N-methoxymethanamine
CID 60702400
1-(2-ethyl-5-fluoro-3-methoxyphenyl)-N-methoxymethanamine
CID 117304180
1-(3-bromo-4,5-difluorophenyl)-N-methoxymethanamine
CID 117383021
2-(3-ethyl-5-fluorophenyl)acetonitrile
CID 84764635
1-(3-chloro-5-fluoro-4-methylsulfanylphenyl)-N-methoxymethanamine
CID 117343938
1-(3-chloro-4-ethyl-5-methoxyphenyl)-N-methoxymethanamine
CID 117331660
3-(3-ethyl-5-fluorophenyl)propan-1-ol
CID 117279245
1-(3-chloropropyl)-3-ethyl-5-fluorobenzene
CID 118824600

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethyl-5-fluorophenyl)-N-methoxymethanamine?
The IUPAC name of 1-(3-ethyl-5-fluorophenyl)-N-methoxymethanamine (CID 117279572) is 1-(3-ethyl-5-fluorophenyl)-N-methoxymethanamine.
What is the SMILES notation for 1-(3-ethyl-5-fluorophenyl)-N-methoxymethanamine?
The canonical SMILES for 1-(3-ethyl-5-fluorophenyl)-N-methoxymethanamine is CCc1cc(F)cc(CNOC)c1.
What is the InChIKey of 1-(3-ethyl-5-fluorophenyl)-N-methoxymethanamine?
The InChIKey is DCYLPAREGBUGST-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14FNO/c1-3-8-4-9(7-12-13-2)6-10(11)5-8/h4-6,12H,3,7H2,1-2H3.
What are the key properties of 1-(3-ethyl-5-fluorophenyl)-N-methoxymethanamine?
1-(3-ethyl-5-fluorophenyl)-N-methoxymethanamine has a molecular weight of 183.23 g/mol, XLogP of 2.04, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethyl-5-fluorophenyl)-N-methoxymethanamine is sourced from PubChem (CID 117279572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).