3-fluoro-4-methoxy-N-(2-methoxyethyl)aniline

C10H14FNO2 — CID 43380738

IUPAC3-fluoro-4-methoxy-N-(2-methoxyethyl)aniline
SMILESCOCCNc1ccc(OC)c(F)c1
InChIInChI=1S/C10H14FNO2/c1-13-6-5-12-8-3-4-10(14-2)9(11)7-8/h3-4,7,12H,5-6H2,1-2H3
InChIKeyJWZBJNNRLKZKGK-UHFFFAOYSA-N
MW199.22 g/mol
LogP1.89
Rot. Bonds5

About 3-fluoro-4-methoxy-N-(2-methoxyethyl)aniline

3-fluoro-4-methoxy-N-(2-methoxyethyl)aniline (PubChem CID 43380738) has the molecular formula C10H14FNO2 and a molecular weight of 199.22 g/mol. Its IUPAC name is 3-fluoro-4-methoxy-N-(2-methoxyethyl)aniline.

Molecular Properties

Compound Name3-fluoro-4-methoxy-N-(2-methoxyethyl)aniline
PubChem CID43380738
Molecular FormulaC10H14FNO2
Molecular Weight199.22 g/mol
Exact Mass199.10
IUPAC Name3-fluoro-4-methoxy-N-(2-methoxyethyl)aniline
SMILESCOCCNc1ccc(OC)c(F)c1
InChIInChI=1S/C10H14FNO2/c1-13-6-5-12-8-3-4-10(14-2)9(11)7-8/h3-4,7,12H,5-6H2,1-2H3
InChIKeyJWZBJNNRLKZKGK-UHFFFAOYSA-N
XLogP1.89
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.22
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3,4-difluoro-N-(2-methoxyethyl)aniline
CID 28579883
N-decyl-3-fluoro-4-methoxyaniline
CID 63489598
3-fluoro-4-methoxy-N-prop-2-enylaniline
CID 62141069
3,4,5-trifluoro-N-(2-methoxyethyl)aniline
CID 62811343
3-fluoro-4-methoxy-N-methylaniline
CID 21307269
4-(3-fluoro-4-methoxyanilino)-2,2-dimethylbutanenitrile
CID 65248990
methyl 4-(3-fluoro-4-methoxyanilino)butanoate
CID 43380727
N-[(2-aminophenyl)methyl]-3-fluoro-4-methoxyaniline
CID 66385653
3-fluoro-4-methoxy-N-[2-(4-methylpiperazin-1-yl)ethyl]aniline
CID 82889797
3,4-difluoro-N-[2-(3-methoxypropoxy)ethyl]aniline
CID 103178421
3-fluoro-4-methoxy-N-(2-methylpentyl)aniline
CID 43380460
3-(3-fluoro-4-methoxyanilino)-2-methylpropanoic acid
CID 43538671

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-methoxy-N-(2-methoxyethyl)aniline?
The IUPAC name of 3-fluoro-4-methoxy-N-(2-methoxyethyl)aniline (CID 43380738) is 3-fluoro-4-methoxy-N-(2-methoxyethyl)aniline.
What is the SMILES notation for 3-fluoro-4-methoxy-N-(2-methoxyethyl)aniline?
The canonical SMILES for 3-fluoro-4-methoxy-N-(2-methoxyethyl)aniline is COCCNc1ccc(OC)c(F)c1.
What is the InChIKey of 3-fluoro-4-methoxy-N-(2-methoxyethyl)aniline?
The InChIKey is JWZBJNNRLKZKGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14FNO2/c1-13-6-5-12-8-3-4-10(14-2)9(11)7-8/h3-4,7,12H,5-6H2,1-2H3.
What are the key properties of 3-fluoro-4-methoxy-N-(2-methoxyethyl)aniline?
3-fluoro-4-methoxy-N-(2-methoxyethyl)aniline has a molecular weight of 199.22 g/mol, XLogP of 1.89, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-methoxy-N-(2-methoxyethyl)aniline is sourced from PubChem (CID 43380738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).