2-(2-chloro-5-fluorophenyl)-N-methylpropan-2-amine

C10H13ClFN — CID 83686715

IUPAC2-(2-chloro-5-fluorophenyl)-N-methylpropan-2-amine
SMILESCNC(C)(C)c1cc(F)ccc1Cl
InChIInChI=1S/C10H13ClFN/c1-10(2,13-3)8-6-7(12)4-5-9(8)11/h4-6,13H,1-3H3
InChIKeyCDTOYVYOQJYKGF-UHFFFAOYSA-N
MW201.67 g/mol
LogP2.93
Rot. Bonds2

About 2-(2-chloro-5-fluorophenyl)-N-methylpropan-2-amine

2-(2-chloro-5-fluorophenyl)-N-methylpropan-2-amine (PubChem CID 83686715) has the molecular formula C10H13ClFN and a molecular weight of 201.67 g/mol. Its IUPAC name is 2-(2-chloro-5-fluorophenyl)-N-methylpropan-2-amine.

Molecular Properties

Compound Name2-(2-chloro-5-fluorophenyl)-N-methylpropan-2-amine
PubChem CID83686715
Molecular FormulaC10H13ClFN
Molecular Weight201.67 g/mol
Exact Mass201.07
IUPAC Name2-(2-chloro-5-fluorophenyl)-N-methylpropan-2-amine
SMILESCNC(C)(C)c1cc(F)ccc1Cl
InChIInChI=1S/C10H13ClFN/c1-10(2,13-3)8-6-7(12)4-5-9(8)11/h4-6,13H,1-3H3
InChIKeyCDTOYVYOQJYKGF-UHFFFAOYSA-N
XLogP2.93
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.67
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(2-chloro-5-fluoro-4-methylphenyl)-N-methylpropan-2-amine
CID 116963016
3-(2-chloro-5-fluorophenyl)pentan-3-ol
CID 105393736
2-(2-chloro-5-fluorophenyl)-1-(ethylamino)propan-2-ol
CID 105396212
2-(2-chloro-5-fluorophenyl)-2-methylbutan-1-amine
CID 83835796
3-(2-chloro-5-fluorophenyl)pentan-3-amine
CID 105394104
2-(2-chloro-5-fluorophenyl)-1-(propan-2-ylamino)propan-2-ol
CID 105396214
N-[2-(2-chloro-5-fluorophenyl)-2-fluoroethyl]-2-methylpropan-2-amine
CID 107446807
2-[3-(2-chloro-5-fluorophenyl)imidazol-4-yl]-N-methylpropan-2-amine
CID 107531998
2-[2-(2-chloro-5-fluorophenyl)propan-2-yl]-5-methylcyclohexan-1-ol
CID 105395953
2-(2-chloro-5-fluorophenyl)-4-methoxybutan-2-amine
CID 105394111
1-(2-chloro-5-fluorophenyl)-1-(4-ethylphenyl)ethanamine
CID 105394112
1-(2-chloro-5-fluorophenyl)-1-cyclohexylethanamine
CID 164667498

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-5-fluorophenyl)-N-methylpropan-2-amine?
The IUPAC name of 2-(2-chloro-5-fluorophenyl)-N-methylpropan-2-amine (CID 83686715) is 2-(2-chloro-5-fluorophenyl)-N-methylpropan-2-amine.
What is the SMILES notation for 2-(2-chloro-5-fluorophenyl)-N-methylpropan-2-amine?
The canonical SMILES for 2-(2-chloro-5-fluorophenyl)-N-methylpropan-2-amine is CNC(C)(C)c1cc(F)ccc1Cl.
What is the InChIKey of 2-(2-chloro-5-fluorophenyl)-N-methylpropan-2-amine?
The InChIKey is CDTOYVYOQJYKGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClFN/c1-10(2,13-3)8-6-7(12)4-5-9(8)11/h4-6,13H,1-3H3.
What are the key properties of 2-(2-chloro-5-fluorophenyl)-N-methylpropan-2-amine?
2-(2-chloro-5-fluorophenyl)-N-methylpropan-2-amine has a molecular weight of 201.67 g/mol, XLogP of 2.93, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-5-fluorophenyl)-N-methylpropan-2-amine is sourced from PubChem (CID 83686715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).