4-(2-aminoethyl)-3,5-difluoro-N,N-dimethylaniline

C10H14F2N2 — CID 10774393

IUPAC4-(2-aminoethyl)-3,5-difluoro-N,N-dimethylaniline
SMILESCN(C)c1cc(F)c(CCN)c(F)c1
InChIInChI=1S/C10H14F2N2/c1-14(2)7-5-9(11)8(3-4-13)10(12)6-7/h5-6H,3-4,13H2,1-2H3
InChIKeyKPASEPOTGQUMOM-UHFFFAOYSA-N
MW200.23 g/mol
LogP1.53
Rot. Bonds3

About 4-(2-aminoethyl)-3,5-difluoro-N,N-dimethylaniline

4-(2-aminoethyl)-3,5-difluoro-N,N-dimethylaniline (PubChem CID 10774393) has the molecular formula C10H14F2N2 and a molecular weight of 200.23 g/mol. Its IUPAC name is 4-(2-aminoethyl)-3,5-difluoro-N,N-dimethylaniline.

Molecular Properties

Compound Name4-(2-aminoethyl)-3,5-difluoro-N,N-dimethylaniline
PubChem CID10774393
Molecular FormulaC10H14F2N2
Molecular Weight200.23 g/mol
Exact Mass200.11
IUPAC Name4-(2-aminoethyl)-3,5-difluoro-N,N-dimethylaniline
SMILESCN(C)c1cc(F)c(CCN)c(F)c1
InChIInChI=1S/C10H14F2N2/c1-14(2)7-5-9(11)8(3-4-13)10(12)6-7/h5-6H,3-4,13H2,1-2H3
InChIKeyKPASEPOTGQUMOM-UHFFFAOYSA-N
XLogP1.53
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.23
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(2-aminoethyl)-3,5-difluoro-N,N-dimethylaniline?
The IUPAC name of 4-(2-aminoethyl)-3,5-difluoro-N,N-dimethylaniline (CID 10774393) is 4-(2-aminoethyl)-3,5-difluoro-N,N-dimethylaniline.
What is the SMILES notation for 4-(2-aminoethyl)-3,5-difluoro-N,N-dimethylaniline?
The canonical SMILES for 4-(2-aminoethyl)-3,5-difluoro-N,N-dimethylaniline is CN(C)c1cc(F)c(CCN)c(F)c1.
What is the InChIKey of 4-(2-aminoethyl)-3,5-difluoro-N,N-dimethylaniline?
The InChIKey is KPASEPOTGQUMOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F2N2/c1-14(2)7-5-9(11)8(3-4-13)10(12)6-7/h5-6H,3-4,13H2,1-2H3.
What are the key properties of 4-(2-aminoethyl)-3,5-difluoro-N,N-dimethylaniline?
4-(2-aminoethyl)-3,5-difluoro-N,N-dimethylaniline has a molecular weight of 200.23 g/mol, XLogP of 1.53, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminoethyl)-3,5-difluoro-N,N-dimethylaniline is sourced from PubChem (CID 10774393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).