1-fluoro-1-(4-fluorophenyl)-N-methylpropan-2-amine

C10H13F2N — CID 105441542

IUPAC1-fluoro-1-(4-fluorophenyl)-N-methylpropan-2-amine
SMILESCNC(C)C(F)c1ccc(F)cc1
InChIInChI=1S/C10H13F2N/c1-7(13-2)10(12)8-3-5-9(11)6-4-8/h3-7,10,13H,1-2H3
InChIKeyMXPZDQIPGYUXKC-UHFFFAOYSA-N
MW185.22 g/mol
LogP2.44
Rot. Bonds3

About 1-fluoro-1-(4-fluorophenyl)-N-methylpropan-2-amine

1-fluoro-1-(4-fluorophenyl)-N-methylpropan-2-amine (PubChem CID 105441542) has the molecular formula C10H13F2N and a molecular weight of 185.22 g/mol. Its IUPAC name is 1-fluoro-1-(4-fluorophenyl)-N-methylpropan-2-amine.

Molecular Properties

Compound Name1-fluoro-1-(4-fluorophenyl)-N-methylpropan-2-amine
PubChem CID105441542
Molecular FormulaC10H13F2N
Molecular Weight185.22 g/mol
Exact Mass185.10
IUPAC Name1-fluoro-1-(4-fluorophenyl)-N-methylpropan-2-amine
SMILESCNC(C)C(F)c1ccc(F)cc1
InChIInChI=1S/C10H13F2N/c1-7(13-2)10(12)8-3-5-9(11)6-4-8/h3-7,10,13H,1-2H3
InChIKeyMXPZDQIPGYUXKC-UHFFFAOYSA-N
XLogP2.44
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.22
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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(1R)-1-(4-fluorophenyl)-2-methylpropan-1-amine;hydrochloride
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CID 167565011
3-[(4-fluorophenyl)methyl]-N-methylpentan-2-amine
CID 61000357
1-(4-fluorophenyl)-N-methylbutan-1-amine
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Frequently Asked Questions

What is the IUPAC name of 1-fluoro-1-(4-fluorophenyl)-N-methylpropan-2-amine?
The IUPAC name of 1-fluoro-1-(4-fluorophenyl)-N-methylpropan-2-amine (CID 105441542) is 1-fluoro-1-(4-fluorophenyl)-N-methylpropan-2-amine.
What is the SMILES notation for 1-fluoro-1-(4-fluorophenyl)-N-methylpropan-2-amine?
The canonical SMILES for 1-fluoro-1-(4-fluorophenyl)-N-methylpropan-2-amine is CNC(C)C(F)c1ccc(F)cc1.
What is the InChIKey of 1-fluoro-1-(4-fluorophenyl)-N-methylpropan-2-amine?
The InChIKey is MXPZDQIPGYUXKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F2N/c1-7(13-2)10(12)8-3-5-9(11)6-4-8/h3-7,10,13H,1-2H3.
What are the key properties of 1-fluoro-1-(4-fluorophenyl)-N-methylpropan-2-amine?
1-fluoro-1-(4-fluorophenyl)-N-methylpropan-2-amine has a molecular weight of 185.22 g/mol, XLogP of 2.44, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-1-(4-fluorophenyl)-N-methylpropan-2-amine is sourced from PubChem (CID 105441542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).