2,6-difluoro-4-(methylaminomethyl)-N,N-dipropylaniline

C14H22F2N2 — CID 63051923

IUPAC2,6-difluoro-4-(methylaminomethyl)-N,N-dipropylaniline
SMILESCCCN(CCC)c1c(F)cc(CNC)cc1F
InChIInChI=1S/C14H22F2N2/c1-4-6-18(7-5-2)14-12(15)8-11(10-17-3)9-13(14)16/h8-9,17H,4-7,10H2,1-3H3
InChIKeyZTLFGIMEDQMJCV-UHFFFAOYSA-N
MW256.34 g/mol
LogP3.31
Rot. Bonds7

About 2,6-difluoro-4-(methylaminomethyl)-N,N-dipropylaniline

2,6-difluoro-4-(methylaminomethyl)-N,N-dipropylaniline (PubChem CID 63051923) has the molecular formula C14H22F2N2 and a molecular weight of 256.34 g/mol. Its IUPAC name is 2,6-difluoro-4-(methylaminomethyl)-N,N-dipropylaniline.

Molecular Properties

Compound Name2,6-difluoro-4-(methylaminomethyl)-N,N-dipropylaniline
PubChem CID63051923
Molecular FormulaC14H22F2N2
Molecular Weight256.34 g/mol
Exact Mass256.18
IUPAC Name2,6-difluoro-4-(methylaminomethyl)-N,N-dipropylaniline
SMILESCCCN(CCC)c1c(F)cc(CNC)cc1F
InChIInChI=1S/C14H22F2N2/c1-4-6-18(7-5-2)14-12(15)8-11(10-17-3)9-13(14)16/h8-9,17H,4-7,10H2,1-3H3
InChIKeyZTLFGIMEDQMJCV-UHFFFAOYSA-N
XLogP3.31
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.34
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-4-(methylaminomethyl)-N,N-dipropylaniline?
The IUPAC name of 2,6-difluoro-4-(methylaminomethyl)-N,N-dipropylaniline (CID 63051923) is 2,6-difluoro-4-(methylaminomethyl)-N,N-dipropylaniline.
What is the SMILES notation for 2,6-difluoro-4-(methylaminomethyl)-N,N-dipropylaniline?
The canonical SMILES for 2,6-difluoro-4-(methylaminomethyl)-N,N-dipropylaniline is CCCN(CCC)c1c(F)cc(CNC)cc1F.
What is the InChIKey of 2,6-difluoro-4-(methylaminomethyl)-N,N-dipropylaniline?
The InChIKey is ZTLFGIMEDQMJCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22F2N2/c1-4-6-18(7-5-2)14-12(15)8-11(10-17-3)9-13(14)16/h8-9,17H,4-7,10H2,1-3H3.
What are the key properties of 2,6-difluoro-4-(methylaminomethyl)-N,N-dipropylaniline?
2,6-difluoro-4-(methylaminomethyl)-N,N-dipropylaniline has a molecular weight of 256.34 g/mol, XLogP of 3.31, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-difluoro-4-(methylaminomethyl)-N,N-dipropylaniline is sourced from PubChem (CID 63051923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).