3-(aminomethyl)-2,6-difluoro-N-(2-methoxyethyl)aniline

C10H14F2N2O — CID 155573917

IUPAC3-(aminomethyl)-2,6-difluoro-N-(2-methoxyethyl)aniline
SMILESCOCCNc1c(F)ccc(CN)c1F
InChIInChI=1S/C10H14F2N2O/c1-15-5-4-14-10-8(11)3-2-7(6-13)9(10)12/h2-3,14H,4-6,13H2,1H3
InChIKeyXBNMSHUJADBZTB-UHFFFAOYSA-N
MW216.23 g/mol
LogP1.48
Rot. Bonds5

About 3-(aminomethyl)-2,6-difluoro-N-(2-methoxyethyl)aniline

3-(aminomethyl)-2,6-difluoro-N-(2-methoxyethyl)aniline (PubChem CID 155573917) has the molecular formula C10H14F2N2O and a molecular weight of 216.23 g/mol. Its IUPAC name is 3-(aminomethyl)-2,6-difluoro-N-(2-methoxyethyl)aniline.

Molecular Properties

Compound Name3-(aminomethyl)-2,6-difluoro-N-(2-methoxyethyl)aniline
PubChem CID155573917
Molecular FormulaC10H14F2N2O
Molecular Weight216.23 g/mol
Exact Mass216.11
IUPAC Name3-(aminomethyl)-2,6-difluoro-N-(2-methoxyethyl)aniline
SMILESCOCCNc1c(F)ccc(CN)c1F
InChIInChI=1S/C10H14F2N2O/c1-15-5-4-14-10-8(11)3-2-7(6-13)9(10)12/h2-3,14H,4-6,13H2,1H3
InChIKeyXBNMSHUJADBZTB-UHFFFAOYSA-N
XLogP1.48
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.23
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-2,6-difluoro-N-(2-methoxyethyl)aniline?
The IUPAC name of 3-(aminomethyl)-2,6-difluoro-N-(2-methoxyethyl)aniline (CID 155573917) is 3-(aminomethyl)-2,6-difluoro-N-(2-methoxyethyl)aniline.
What is the SMILES notation for 3-(aminomethyl)-2,6-difluoro-N-(2-methoxyethyl)aniline?
The canonical SMILES for 3-(aminomethyl)-2,6-difluoro-N-(2-methoxyethyl)aniline is COCCNc1c(F)ccc(CN)c1F.
What is the InChIKey of 3-(aminomethyl)-2,6-difluoro-N-(2-methoxyethyl)aniline?
The InChIKey is XBNMSHUJADBZTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F2N2O/c1-15-5-4-14-10-8(11)3-2-7(6-13)9(10)12/h2-3,14H,4-6,13H2,1H3.
What are the key properties of 3-(aminomethyl)-2,6-difluoro-N-(2-methoxyethyl)aniline?
3-(aminomethyl)-2,6-difluoro-N-(2-methoxyethyl)aniline has a molecular weight of 216.23 g/mol, XLogP of 1.48, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-2,6-difluoro-N-(2-methoxyethyl)aniline is sourced from PubChem (CID 155573917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).