3-fluoro-2-[[2-methoxyethyl(3-methoxypropyl)amino]methyl]aniline

C14H23FN2O2 — CID 63331103

IUPAC3-fluoro-2-[[2-methoxyethyl(3-methoxypropyl)amino]methyl]aniline
SMILESCOCCCN(CCOC)Cc1c(N)cccc1F
InChIInChI=1S/C14H23FN2O2/c1-18-9-4-7-17(8-10-19-2)11-12-13(15)5-3-6-14(12)16/h3,5-6H,4,7-11,16H2,1-2H3
InChIKeyXVCAAVLRTXBRSG-UHFFFAOYSA-N
MW270.35 g/mol
LogP1.89
Rot. Bonds9

About 3-fluoro-2-[[2-methoxyethyl(3-methoxypropyl)amino]methyl]aniline

3-fluoro-2-[[2-methoxyethyl(3-methoxypropyl)amino]methyl]aniline (PubChem CID 63331103) has the molecular formula C14H23FN2O2 and a molecular weight of 270.35 g/mol. Its IUPAC name is 3-fluoro-2-[[2-methoxyethyl(3-methoxypropyl)amino]methyl]aniline.

Molecular Properties

Compound Name3-fluoro-2-[[2-methoxyethyl(3-methoxypropyl)amino]methyl]aniline
PubChem CID63331103
Molecular FormulaC14H23FN2O2
Molecular Weight270.35 g/mol
Exact Mass270.17
IUPAC Name3-fluoro-2-[[2-methoxyethyl(3-methoxypropyl)amino]methyl]aniline
SMILESCOCCCN(CCOC)Cc1c(N)cccc1F
InChIInChI=1S/C14H23FN2O2/c1-18-9-4-7-17(8-10-19-2)11-12-13(15)5-3-6-14(12)16/h3,5-6H,4,7-11,16H2,1-2H3
InChIKeyXVCAAVLRTXBRSG-UHFFFAOYSA-N
XLogP1.89
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.35
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-2-[[2-methoxyethyl(3-methoxypropyl)amino]methyl]aniline?
The IUPAC name of 3-fluoro-2-[[2-methoxyethyl(3-methoxypropyl)amino]methyl]aniline (CID 63331103) is 3-fluoro-2-[[2-methoxyethyl(3-methoxypropyl)amino]methyl]aniline.
What is the SMILES notation for 3-fluoro-2-[[2-methoxyethyl(3-methoxypropyl)amino]methyl]aniline?
The canonical SMILES for 3-fluoro-2-[[2-methoxyethyl(3-methoxypropyl)amino]methyl]aniline is COCCCN(CCOC)Cc1c(N)cccc1F.
What is the InChIKey of 3-fluoro-2-[[2-methoxyethyl(3-methoxypropyl)amino]methyl]aniline?
The InChIKey is XVCAAVLRTXBRSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23FN2O2/c1-18-9-4-7-17(8-10-19-2)11-12-13(15)5-3-6-14(12)16/h3,5-6H,4,7-11,16H2,1-2H3.
What are the key properties of 3-fluoro-2-[[2-methoxyethyl(3-methoxypropyl)amino]methyl]aniline?
3-fluoro-2-[[2-methoxyethyl(3-methoxypropyl)amino]methyl]aniline has a molecular weight of 270.35 g/mol, XLogP of 1.89, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-2-[[2-methoxyethyl(3-methoxypropyl)amino]methyl]aniline is sourced from PubChem (CID 63331103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).