2-fluoro-N',2-dimethyl-N'-phenylpropane-1,3-diamine

C11H17FN2 — CID 105450124

IUPAC2-fluoro-N',2-dimethyl-N'-phenylpropane-1,3-diamine
SMILESCN(CC(C)(F)CN)c1ccccc1
InChIInChI=1S/C11H17FN2/c1-11(12,8-13)9-14(2)10-6-4-3-5-7-10/h3-7H,8-9,13H2,1-2H3
InChIKeyQMDVSJSNUXPNAU-UHFFFAOYSA-N
MW196.27 g/mol
LogP1.81
Rot. Bonds4

About 2-fluoro-N',2-dimethyl-N'-phenylpropane-1,3-diamine

2-fluoro-N',2-dimethyl-N'-phenylpropane-1,3-diamine (PubChem CID 105450124) has the molecular formula C11H17FN2 and a molecular weight of 196.27 g/mol. Its IUPAC name is 2-fluoro-N',2-dimethyl-N'-phenylpropane-1,3-diamine.

Molecular Properties

Compound Name2-fluoro-N',2-dimethyl-N'-phenylpropane-1,3-diamine
PubChem CID105450124
Molecular FormulaC11H17FN2
Molecular Weight196.27 g/mol
Exact Mass196.14
IUPAC Name2-fluoro-N',2-dimethyl-N'-phenylpropane-1,3-diamine
SMILESCN(CC(C)(F)CN)c1ccccc1
InChIInChI=1S/C11H17FN2/c1-11(12,8-13)9-14(2)10-6-4-3-5-7-10/h3-7H,8-9,13H2,1-2H3
InChIKeyQMDVSJSNUXPNAU-UHFFFAOYSA-N
XLogP1.81
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.27
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N',2-dimethyl-N'-phenylpropane-1,3-diamine?
The IUPAC name of 2-fluoro-N',2-dimethyl-N'-phenylpropane-1,3-diamine (CID 105450124) is 2-fluoro-N',2-dimethyl-N'-phenylpropane-1,3-diamine.
What is the SMILES notation for 2-fluoro-N',2-dimethyl-N'-phenylpropane-1,3-diamine?
The canonical SMILES for 2-fluoro-N',2-dimethyl-N'-phenylpropane-1,3-diamine is CN(CC(C)(F)CN)c1ccccc1.
What is the InChIKey of 2-fluoro-N',2-dimethyl-N'-phenylpropane-1,3-diamine?
The InChIKey is QMDVSJSNUXPNAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17FN2/c1-11(12,8-13)9-14(2)10-6-4-3-5-7-10/h3-7H,8-9,13H2,1-2H3.
What are the key properties of 2-fluoro-N',2-dimethyl-N'-phenylpropane-1,3-diamine?
2-fluoro-N',2-dimethyl-N'-phenylpropane-1,3-diamine has a molecular weight of 196.27 g/mol, XLogP of 1.81, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N',2-dimethyl-N'-phenylpropane-1,3-diamine is sourced from PubChem (CID 105450124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).