2-[2-(fluoroamino)ethyl]-3,6-dimethyl-N-phenylaniline

C16H19FN2 — CID 57299195

IUPAC2-[2-(fluoroamino)ethyl]-3,6-dimethyl-N-phenylaniline
SMILESCc1ccc(C)c(Nc2ccccc2)c1CCNF
InChIInChI=1S/C16H19FN2/c1-12-8-9-13(2)16(15(12)10-11-18-17)19-14-6-4-3-5-7-14/h3-9,18-19H,10-11H2,1-2H3
InChIKeyVHDRKVQPXNSNJY-UHFFFAOYSA-N
MW258.34 g/mol
LogP4.06
Rot. Bonds5

About 2-[2-(fluoroamino)ethyl]-3,6-dimethyl-N-phenylaniline

2-[2-(fluoroamino)ethyl]-3,6-dimethyl-N-phenylaniline (PubChem CID 57299195) has the molecular formula C16H19FN2 and a molecular weight of 258.34 g/mol. Its IUPAC name is 2-[2-(fluoroamino)ethyl]-3,6-dimethyl-N-phenylaniline.

Molecular Properties

Compound Name2-[2-(fluoroamino)ethyl]-3,6-dimethyl-N-phenylaniline
PubChem CID57299195
Molecular FormulaC16H19FN2
Molecular Weight258.34 g/mol
Exact Mass258.15
IUPAC Name2-[2-(fluoroamino)ethyl]-3,6-dimethyl-N-phenylaniline
SMILESCc1ccc(C)c(Nc2ccccc2)c1CCNF
InChIInChI=1S/C16H19FN2/c1-12-8-9-13(2)16(15(12)10-11-18-17)19-14-6-4-3-5-7-14/h3-9,18-19H,10-11H2,1-2H3
InChIKeyVHDRKVQPXNSNJY-UHFFFAOYSA-N
XLogP4.06
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.34
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(fluoroamino)ethyl]-3,6-dimethyl-N-phenylaniline?
The IUPAC name of 2-[2-(fluoroamino)ethyl]-3,6-dimethyl-N-phenylaniline (CID 57299195) is 2-[2-(fluoroamino)ethyl]-3,6-dimethyl-N-phenylaniline.
What is the SMILES notation for 2-[2-(fluoroamino)ethyl]-3,6-dimethyl-N-phenylaniline?
The canonical SMILES for 2-[2-(fluoroamino)ethyl]-3,6-dimethyl-N-phenylaniline is Cc1ccc(C)c(Nc2ccccc2)c1CCNF.
What is the InChIKey of 2-[2-(fluoroamino)ethyl]-3,6-dimethyl-N-phenylaniline?
The InChIKey is VHDRKVQPXNSNJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN2/c1-12-8-9-13(2)16(15(12)10-11-18-17)19-14-6-4-3-5-7-14/h3-9,18-19H,10-11H2,1-2H3.
What are the key properties of 2-[2-(fluoroamino)ethyl]-3,6-dimethyl-N-phenylaniline?
2-[2-(fluoroamino)ethyl]-3,6-dimethyl-N-phenylaniline has a molecular weight of 258.34 g/mol, XLogP of 4.06, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(fluoroamino)ethyl]-3,6-dimethyl-N-phenylaniline is sourced from PubChem (CID 57299195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).