4-ethoxy-3-fluoro-N-methyl-N-(2-pyrrolidin-2-ylethyl)aniline

C15H23FN2O — CID 115210222

IUPAC4-ethoxy-3-fluoro-N-methyl-N-(2-pyrrolidin-2-ylethyl)aniline
SMILESCCOc1ccc(N(C)CCC2CCCN2)cc1F
InChIInChI=1S/C15H23FN2O/c1-3-19-15-7-6-13(11-14(15)16)18(2)10-8-12-5-4-9-17-12/h6-7,11-12,17H,3-5,8-10H2,1-2H3
InChIKeyGGIUKUPRBVDHBI-UHFFFAOYSA-N
MW266.36 g/mol
LogP2.80
Rot. Bonds6

About 4-ethoxy-3-fluoro-N-methyl-N-(2-pyrrolidin-2-ylethyl)aniline

4-ethoxy-3-fluoro-N-methyl-N-(2-pyrrolidin-2-ylethyl)aniline (PubChem CID 115210222) has the molecular formula C15H23FN2O and a molecular weight of 266.36 g/mol. Its IUPAC name is 4-ethoxy-3-fluoro-N-methyl-N-(2-pyrrolidin-2-ylethyl)aniline.

Molecular Properties

Compound Name4-ethoxy-3-fluoro-N-methyl-N-(2-pyrrolidin-2-ylethyl)aniline
PubChem CID115210222
Molecular FormulaC15H23FN2O
Molecular Weight266.36 g/mol
Exact Mass266.18
IUPAC Name4-ethoxy-3-fluoro-N-methyl-N-(2-pyrrolidin-2-ylethyl)aniline
SMILESCCOc1ccc(N(C)CCC2CCCN2)cc1F
InChIInChI=1S/C15H23FN2O/c1-3-19-15-7-6-13(11-14(15)16)18(2)10-8-12-5-4-9-17-12/h6-7,11-12,17H,3-5,8-10H2,1-2H3
InChIKeyGGIUKUPRBVDHBI-UHFFFAOYSA-N
XLogP2.80
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.36
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3,4-dimethoxy-N-methyl-N-(2-pyrrolidin-2-ylethyl)aniline
CID 115210196
3-ethyl-4-methoxy-N-methyl-N-(2-pyrrolidin-2-ylethyl)aniline
CID 115210219
3-bromo-4-methoxy-N-methyl-N-(2-pyrrolidin-2-ylethyl)aniline
CID 115210208
3-fluoro-4-methoxy-N-methyl-N-(2-morpholin-3-ylethyl)aniline
CID 115238903
4-ethylsulfanyl-N-methyl-N-(2-pyrrolidin-2-ylethyl)aniline
CID 115210239
4-(4-ethoxy-3-fluoro-N-methylanilino)butanoic acid
CID 115218534
N-[(4-ethoxy-3-fluorophenyl)methyl]-1-piperidin-2-ylmethanamine
CID 115209327
N-methyl-N-(2-pyrrolidin-2-ylethyl)-1H-pyrrol-3-amine
CID 115210229
4-(4-ethoxy-3-fluoro-N-methylanilino)cyclohexan-1-ol
CID 115149430
4-fluoro-N-methyl-N-[[(2S)-pyrrolidin-2-yl]methyl]aniline
CID 94333109
N-[(4-ethoxyphenyl)methyl]-N-methyl-2-pyrrolidin-2-ylethanamine
CID 115210378
(2S)-2-[(4-bromo-2-fluorophenoxy)methyl]pyrrolidine
CID 102820104

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-3-fluoro-N-methyl-N-(2-pyrrolidin-2-ylethyl)aniline?
The IUPAC name of 4-ethoxy-3-fluoro-N-methyl-N-(2-pyrrolidin-2-ylethyl)aniline (CID 115210222) is 4-ethoxy-3-fluoro-N-methyl-N-(2-pyrrolidin-2-ylethyl)aniline.
What is the SMILES notation for 4-ethoxy-3-fluoro-N-methyl-N-(2-pyrrolidin-2-ylethyl)aniline?
The canonical SMILES for 4-ethoxy-3-fluoro-N-methyl-N-(2-pyrrolidin-2-ylethyl)aniline is CCOc1ccc(N(C)CCC2CCCN2)cc1F.
What is the InChIKey of 4-ethoxy-3-fluoro-N-methyl-N-(2-pyrrolidin-2-ylethyl)aniline?
The InChIKey is GGIUKUPRBVDHBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FN2O/c1-3-19-15-7-6-13(11-14(15)16)18(2)10-8-12-5-4-9-17-12/h6-7,11-12,17H,3-5,8-10H2,1-2H3.
What are the key properties of 4-ethoxy-3-fluoro-N-methyl-N-(2-pyrrolidin-2-ylethyl)aniline?
4-ethoxy-3-fluoro-N-methyl-N-(2-pyrrolidin-2-ylethyl)aniline has a molecular weight of 266.36 g/mol, XLogP of 2.80, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-3-fluoro-N-methyl-N-(2-pyrrolidin-2-ylethyl)aniline is sourced from PubChem (CID 115210222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).