4-(aminomethyl)-2,6-difluoro-N-propylaniline

C10H14F2N2 — CID 81293797

IUPAC4-(aminomethyl)-2,6-difluoro-N-propylaniline
SMILESCCCNc1c(F)cc(CN)cc1F
InChIInChI=1S/C10H14F2N2/c1-2-3-14-10-8(11)4-7(6-13)5-9(10)12/h4-5,14H,2-3,6,13H2,1H3
InChIKeyGALMDYPFVNTXOU-UHFFFAOYSA-N
MW200.23 g/mol
LogP2.25
Rot. Bonds4

About 4-(aminomethyl)-2,6-difluoro-N-propylaniline

4-(aminomethyl)-2,6-difluoro-N-propylaniline (PubChem CID 81293797) has the molecular formula C10H14F2N2 and a molecular weight of 200.23 g/mol. Its IUPAC name is 4-(aminomethyl)-2,6-difluoro-N-propylaniline.

Molecular Properties

Compound Name4-(aminomethyl)-2,6-difluoro-N-propylaniline
PubChem CID81293797
Molecular FormulaC10H14F2N2
Molecular Weight200.23 g/mol
Exact Mass200.11
IUPAC Name4-(aminomethyl)-2,6-difluoro-N-propylaniline
SMILESCCCNc1c(F)cc(CN)cc1F
InChIInChI=1S/C10H14F2N2/c1-2-3-14-10-8(11)4-7(6-13)5-9(10)12/h4-5,14H,2-3,6,13H2,1H3
InChIKeyGALMDYPFVNTXOU-UHFFFAOYSA-N
XLogP2.25
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.23
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-2,6-difluoro-N-propylaniline?
The IUPAC name of 4-(aminomethyl)-2,6-difluoro-N-propylaniline (CID 81293797) is 4-(aminomethyl)-2,6-difluoro-N-propylaniline.
What is the SMILES notation for 4-(aminomethyl)-2,6-difluoro-N-propylaniline?
The canonical SMILES for 4-(aminomethyl)-2,6-difluoro-N-propylaniline is CCCNc1c(F)cc(CN)cc1F.
What is the InChIKey of 4-(aminomethyl)-2,6-difluoro-N-propylaniline?
The InChIKey is GALMDYPFVNTXOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F2N2/c1-2-3-14-10-8(11)4-7(6-13)5-9(10)12/h4-5,14H,2-3,6,13H2,1H3.
What are the key properties of 4-(aminomethyl)-2,6-difluoro-N-propylaniline?
4-(aminomethyl)-2,6-difluoro-N-propylaniline has a molecular weight of 200.23 g/mol, XLogP of 2.25, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-2,6-difluoro-N-propylaniline is sourced from PubChem (CID 81293797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).