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

C10H15FN2 — CID 73013426

IUPAC1-N-(2-fluorophenyl)-2-methylpropane-1,2-diamine
SMILESCC(C)(N)CNc1ccccc1F
InChIInChI=1S/C10H15FN2/c1-10(2,12)7-13-9-6-4-3-5-8(9)11/h3-6,13H,7,12H2,1-2H3
InChIKeyRCJGBMORGSVYDY-UHFFFAOYSA-N
MW182.24 g/mol
LogP1.97
Rot. Bonds3

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

1-N-(2-fluorophenyl)-2-methylpropane-1,2-diamine (PubChem CID 73013426) has the molecular formula C10H15FN2 and a molecular weight of 182.24 g/mol. Its IUPAC name is 1-N-(2-fluorophenyl)-2-methylpropane-1,2-diamine.

Molecular Properties

Compound Name1-N-(2-fluorophenyl)-2-methylpropane-1,2-diamine
PubChem CID73013426
Molecular FormulaC10H15FN2
Molecular Weight182.24 g/mol
Exact Mass182.12
IUPAC Name1-N-(2-fluorophenyl)-2-methylpropane-1,2-diamine
SMILESCC(C)(N)CNc1ccccc1F
InChIInChI=1S/C10H15FN2/c1-10(2,12)7-13-9-6-4-3-5-8(9)11/h3-6,13H,7,12H2,1-2H3
InChIKeyRCJGBMORGSVYDY-UHFFFAOYSA-N
XLogP1.97
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.24
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 1-N-(2-fluorophenyl)-2-methylpropane-1,2-diamine?
The IUPAC name of 1-N-(2-fluorophenyl)-2-methylpropane-1,2-diamine (CID 73013426) is 1-N-(2-fluorophenyl)-2-methylpropane-1,2-diamine.
What is the SMILES notation for 1-N-(2-fluorophenyl)-2-methylpropane-1,2-diamine?
The canonical SMILES for 1-N-(2-fluorophenyl)-2-methylpropane-1,2-diamine is CC(C)(N)CNc1ccccc1F.
What is the InChIKey of 1-N-(2-fluorophenyl)-2-methylpropane-1,2-diamine?
The InChIKey is RCJGBMORGSVYDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15FN2/c1-10(2,12)7-13-9-6-4-3-5-8(9)11/h3-6,13H,7,12H2,1-2H3.
What are the key properties of 1-N-(2-fluorophenyl)-2-methylpropane-1,2-diamine?
1-N-(2-fluorophenyl)-2-methylpropane-1,2-diamine has a molecular weight of 182.24 g/mol, XLogP of 1.97, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(2-fluorophenyl)-2-methylpropane-1,2-diamine is sourced from PubChem (CID 73013426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).