1-N-(2-fluorophenyl)-1-N-methylcyclohexane-1,3-diamine

C13H19FN2 — CID 79468923

IUPAC1-N-(2-fluorophenyl)-1-N-methylcyclohexane-1,3-diamine
SMILESCN(c1ccccc1F)C1CCCC(N)C1
InChIInChI=1S/C13H19FN2/c1-16(11-6-4-5-10(15)9-11)13-8-3-2-7-12(13)14/h2-3,7-8,10-11H,4-6,9,15H2,1H3
InChIKeyMRIUEUUWXVFIJY-UHFFFAOYSA-N
MW222.31 g/mol
LogP2.53
Rot. Bonds2

About 1-N-(2-fluorophenyl)-1-N-methylcyclohexane-1,3-diamine

1-N-(2-fluorophenyl)-1-N-methylcyclohexane-1,3-diamine (PubChem CID 79468923) has the molecular formula C13H19FN2 and a molecular weight of 222.31 g/mol. Its IUPAC name is 1-N-(2-fluorophenyl)-1-N-methylcyclohexane-1,3-diamine.

Molecular Properties

Compound Name1-N-(2-fluorophenyl)-1-N-methylcyclohexane-1,3-diamine
PubChem CID79468923
Molecular FormulaC13H19FN2
Molecular Weight222.31 g/mol
Exact Mass222.15
IUPAC Name1-N-(2-fluorophenyl)-1-N-methylcyclohexane-1,3-diamine
SMILESCN(c1ccccc1F)C1CCCC(N)C1
InChIInChI=1S/C13H19FN2/c1-16(11-6-4-5-10(15)9-11)13-8-3-2-7-12(13)14/h2-3,7-8,10-11H,4-6,9,15H2,1H3
InChIKeyMRIUEUUWXVFIJY-UHFFFAOYSA-N
XLogP2.53
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.31
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-N-(2-fluorophenyl)-1-N-methylcyclohexane-1,3-diamine?
The IUPAC name of 1-N-(2-fluorophenyl)-1-N-methylcyclohexane-1,3-diamine (CID 79468923) is 1-N-(2-fluorophenyl)-1-N-methylcyclohexane-1,3-diamine.
What is the SMILES notation for 1-N-(2-fluorophenyl)-1-N-methylcyclohexane-1,3-diamine?
The canonical SMILES for 1-N-(2-fluorophenyl)-1-N-methylcyclohexane-1,3-diamine is CN(c1ccccc1F)C1CCCC(N)C1.
What is the InChIKey of 1-N-(2-fluorophenyl)-1-N-methylcyclohexane-1,3-diamine?
The InChIKey is MRIUEUUWXVFIJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN2/c1-16(11-6-4-5-10(15)9-11)13-8-3-2-7-12(13)14/h2-3,7-8,10-11H,4-6,9,15H2,1H3.
What are the key properties of 1-N-(2-fluorophenyl)-1-N-methylcyclohexane-1,3-diamine?
1-N-(2-fluorophenyl)-1-N-methylcyclohexane-1,3-diamine has a molecular weight of 222.31 g/mol, XLogP of 2.53, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(2-fluorophenyl)-1-N-methylcyclohexane-1,3-diamine is sourced from PubChem (CID 79468923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).