2-(3-fluoropropoxy)-3,5-dimethylaniline

C11H16FNO — CID 81105678

IUPAC2-(3-fluoropropoxy)-3,5-dimethylaniline
SMILESCc1cc(C)c(OCCCF)c(N)c1
InChIInChI=1S/C11H16FNO/c1-8-6-9(2)11(10(13)7-8)14-5-3-4-12/h6-7H,3-5,13H2,1-2H3
InChIKeyQFIXFVFUWOURSE-UHFFFAOYSA-N
MW197.25 g/mol
LogP2.62
Rot. Bonds4

About 2-(3-fluoropropoxy)-3,5-dimethylaniline

2-(3-fluoropropoxy)-3,5-dimethylaniline (PubChem CID 81105678) has the molecular formula C11H16FNO and a molecular weight of 197.25 g/mol. Its IUPAC name is 2-(3-fluoropropoxy)-3,5-dimethylaniline.

Molecular Properties

Compound Name2-(3-fluoropropoxy)-3,5-dimethylaniline
PubChem CID81105678
Molecular FormulaC11H16FNO
Molecular Weight197.25 g/mol
Exact Mass197.12
IUPAC Name2-(3-fluoropropoxy)-3,5-dimethylaniline
SMILESCc1cc(C)c(OCCCF)c(N)c1
InChIInChI=1S/C11H16FNO/c1-8-6-9(2)11(10(13)7-8)14-5-3-4-12/h6-7H,3-5,13H2,1-2H3
InChIKeyQFIXFVFUWOURSE-UHFFFAOYSA-N
XLogP2.62
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.25
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3,5-dimethyl-2-(3-methylsulfonylpropoxy)aniline
CID 63191136
2-[4-(3-fluoropropoxy)-3,5-dimethylphenyl]ethanamine
CID 81113900
3,5-dimethyl-2-(2-phenoxyethoxy)aniline
CID 54853263
4-(2-amino-4,6-dimethylphenoxy)-N,N-dimethylbutanamide
CID 55037346
3,5-dimethyl-2-(2-methylpropoxy)aniline
CID 54853227
4-(3-fluoropropoxy)-3,5-dimethylbenzenecarbothioamide
CID 81105439
2-[(2-fluorophenyl)methoxy]-3,5-dimethylaniline
CID 62058212
4-[3-(2,4,6-trimethylphenoxy)propoxy]aniline
CID 61218955
5-bromo-3-methyl-2-(4,4,4-trifluorobutoxy)aniline
CID 115513015
2-(2-amino-4,6-dimethylphenoxy)-N-ethylacetamide
CID 62057922
3,5-dimethyl-2-(phenylmethoxymethoxy)aniline
CID 102939310
2-(2-amino-4,6-dimethylphenoxy)-N-(2-methoxyethyl)acetamide
CID 62098346

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluoropropoxy)-3,5-dimethylaniline?
The IUPAC name of 2-(3-fluoropropoxy)-3,5-dimethylaniline (CID 81105678) is 2-(3-fluoropropoxy)-3,5-dimethylaniline.
What is the SMILES notation for 2-(3-fluoropropoxy)-3,5-dimethylaniline?
The canonical SMILES for 2-(3-fluoropropoxy)-3,5-dimethylaniline is Cc1cc(C)c(OCCCF)c(N)c1.
What is the InChIKey of 2-(3-fluoropropoxy)-3,5-dimethylaniline?
The InChIKey is QFIXFVFUWOURSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16FNO/c1-8-6-9(2)11(10(13)7-8)14-5-3-4-12/h6-7H,3-5,13H2,1-2H3.
What are the key properties of 2-(3-fluoropropoxy)-3,5-dimethylaniline?
2-(3-fluoropropoxy)-3,5-dimethylaniline has a molecular weight of 197.25 g/mol, XLogP of 2.62, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluoropropoxy)-3,5-dimethylaniline is sourced from PubChem (CID 81105678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).