N'-(2-fluorophenyl)-N'-methylpropane-1,3-diamine

C10H15FN2 — CID 28772287

IUPACN'-(2-fluorophenyl)-N'-methylpropane-1,3-diamine
SMILESCN(CCCN)c1ccccc1F
InChIInChI=1S/C10H15FN2/c1-13(8-4-7-12)10-6-3-2-5-9(10)11/h2-3,5-6H,4,7-8,12H2,1H3
InChIKeyCTWCROAQADYWAQ-UHFFFAOYSA-N
MW182.24 g/mol
LogP1.61
Rot. Bonds4

About N'-(2-fluorophenyl)-N'-methylpropane-1,3-diamine

N'-(2-fluorophenyl)-N'-methylpropane-1,3-diamine (PubChem CID 28772287) has the molecular formula C10H15FN2 and a molecular weight of 182.24 g/mol. Its IUPAC name is N'-(2-fluorophenyl)-N'-methylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-(2-fluorophenyl)-N'-methylpropane-1,3-diamine
PubChem CID28772287
Molecular FormulaC10H15FN2
Molecular Weight182.24 g/mol
Exact Mass182.12
IUPAC NameN'-(2-fluorophenyl)-N'-methylpropane-1,3-diamine
SMILESCN(CCCN)c1ccccc1F
InChIInChI=1S/C10H15FN2/c1-13(8-4-7-12)10-6-3-2-5-9(10)11/h2-3,5-6H,4,7-8,12H2,1H3
InChIKeyCTWCROAQADYWAQ-UHFFFAOYSA-N
XLogP1.61
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.24
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N'-(2-fluorophenyl)-N'-methylpropane-1,3-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N'-(2-fluorophenyl)-N'-methylpropane-1,3-diamine?
The IUPAC name of N'-(2-fluorophenyl)-N'-methylpropane-1,3-diamine (CID 28772287) is N'-(2-fluorophenyl)-N'-methylpropane-1,3-diamine.
What is the SMILES notation for N'-(2-fluorophenyl)-N'-methylpropane-1,3-diamine?
The canonical SMILES for N'-(2-fluorophenyl)-N'-methylpropane-1,3-diamine is CN(CCCN)c1ccccc1F.
What is the InChIKey of N'-(2-fluorophenyl)-N'-methylpropane-1,3-diamine?
The InChIKey is CTWCROAQADYWAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15FN2/c1-13(8-4-7-12)10-6-3-2-5-9(10)11/h2-3,5-6H,4,7-8,12H2,1H3.
What are the key properties of N'-(2-fluorophenyl)-N'-methylpropane-1,3-diamine?
N'-(2-fluorophenyl)-N'-methylpropane-1,3-diamine has a molecular weight of 182.24 g/mol, XLogP of 1.61, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-fluorophenyl)-N'-methylpropane-1,3-diamine is sourced from PubChem (CID 28772287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).