1-N-[(2,6-difluorophenyl)methyl]-2-N,2-N-dimethylpropane-1,2-diamine

C12H18F2N2 — CID 61043808

IUPAC1-N-[(2,6-difluorophenyl)methyl]-2-N,2-N-dimethylpropane-1,2-diamine
SMILESCC(CNCc1c(F)cccc1F)N(C)C
InChIInChI=1S/C12H18F2N2/c1-9(16(2)3)7-15-8-10-11(13)5-4-6-12(10)14/h4-6,9,15H,7-8H2,1-3H3
InChIKeyWFFHZGHMXDIZEQ-UHFFFAOYSA-N
MW228.29 g/mol
LogP2.00
Rot. Bonds5

About 1-N-[(2,6-difluorophenyl)methyl]-2-N,2-N-dimethylpropane-1,2-diamine

1-N-[(2,6-difluorophenyl)methyl]-2-N,2-N-dimethylpropane-1,2-diamine (PubChem CID 61043808) has the molecular formula C12H18F2N2 and a molecular weight of 228.29 g/mol. Its IUPAC name is 1-N-[(2,6-difluorophenyl)methyl]-2-N,2-N-dimethylpropane-1,2-diamine.

Molecular Properties

Compound Name1-N-[(2,6-difluorophenyl)methyl]-2-N,2-N-dimethylpropane-1,2-diamine
PubChem CID61043808
Molecular FormulaC12H18F2N2
Molecular Weight228.29 g/mol
Exact Mass228.14
IUPAC Name1-N-[(2,6-difluorophenyl)methyl]-2-N,2-N-dimethylpropane-1,2-diamine
SMILESCC(CNCc1c(F)cccc1F)N(C)C
InChIInChI=1S/C12H18F2N2/c1-9(16(2)3)7-15-8-10-11(13)5-4-6-12(10)14/h4-6,9,15H,7-8H2,1-3H3
InChIKeyWFFHZGHMXDIZEQ-UHFFFAOYSA-N
XLogP2.00
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-N-[(2,6-difluorophenyl)methyl]-2-N,2-N-dimethylpropane-1,2-diamine?
The IUPAC name of 1-N-[(2,6-difluorophenyl)methyl]-2-N,2-N-dimethylpropane-1,2-diamine (CID 61043808) is 1-N-[(2,6-difluorophenyl)methyl]-2-N,2-N-dimethylpropane-1,2-diamine.
What is the SMILES notation for 1-N-[(2,6-difluorophenyl)methyl]-2-N,2-N-dimethylpropane-1,2-diamine?
The canonical SMILES for 1-N-[(2,6-difluorophenyl)methyl]-2-N,2-N-dimethylpropane-1,2-diamine is CC(CNCc1c(F)cccc1F)N(C)C.
What is the InChIKey of 1-N-[(2,6-difluorophenyl)methyl]-2-N,2-N-dimethylpropane-1,2-diamine?
The InChIKey is WFFHZGHMXDIZEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18F2N2/c1-9(16(2)3)7-15-8-10-11(13)5-4-6-12(10)14/h4-6,9,15H,7-8H2,1-3H3.
What are the key properties of 1-N-[(2,6-difluorophenyl)methyl]-2-N,2-N-dimethylpropane-1,2-diamine?
1-N-[(2,6-difluorophenyl)methyl]-2-N,2-N-dimethylpropane-1,2-diamine has a molecular weight of 228.29 g/mol, XLogP of 2.00, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[(2,6-difluorophenyl)methyl]-2-N,2-N-dimethylpropane-1,2-diamine is sourced from PubChem (CID 61043808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).