1-(4-chloro-2-fluorophenyl)-2-methylpropan-2-amine

C10H13ClFN — CID 57470592

IUPAC1-(4-chloro-2-fluorophenyl)-2-methylpropan-2-amine
SMILESCC(C)(N)Cc1ccc(Cl)cc1F
InChIInChI=1S/C10H13ClFN/c1-10(2,13)6-7-3-4-8(11)5-9(7)12/h3-5H,6,13H2,1-2H3
InChIKeyWJPVJOILEBXHIH-UHFFFAOYSA-N
MW201.67 g/mol
LogP2.76
Rot. Bonds2

About 1-(4-chloro-2-fluorophenyl)-2-methylpropan-2-amine

1-(4-chloro-2-fluorophenyl)-2-methylpropan-2-amine (PubChem CID 57470592) has the molecular formula C10H13ClFN and a molecular weight of 201.67 g/mol. Its IUPAC name is 1-(4-chloro-2-fluorophenyl)-2-methylpropan-2-amine.

Molecular Properties

Compound Name1-(4-chloro-2-fluorophenyl)-2-methylpropan-2-amine
PubChem CID57470592
Molecular FormulaC10H13ClFN
Molecular Weight201.67 g/mol
Exact Mass201.07
IUPAC Name1-(4-chloro-2-fluorophenyl)-2-methylpropan-2-amine
SMILESCC(C)(N)Cc1ccc(Cl)cc1F
InChIInChI=1S/C10H13ClFN/c1-10(2,13)6-7-3-4-8(11)5-9(7)12/h3-5H,6,13H2,1-2H3
InChIKeyWJPVJOILEBXHIH-UHFFFAOYSA-N
XLogP2.76
TPSA26.02 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 ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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2-(4-Chlorophenyl)ethylamine
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Clortermine Hydrochloride
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(S)-(-)-1-(4-chlorophenyl)ethylamine
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1-(4-Chlorophenyl)ethylamine
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3-(4-Chlorophenyl)propan-1-amine
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Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-2-fluorophenyl)-2-methylpropan-2-amine?
The IUPAC name of 1-(4-chloro-2-fluorophenyl)-2-methylpropan-2-amine (CID 57470592) is 1-(4-chloro-2-fluorophenyl)-2-methylpropan-2-amine.
What is the SMILES notation for 1-(4-chloro-2-fluorophenyl)-2-methylpropan-2-amine?
The canonical SMILES for 1-(4-chloro-2-fluorophenyl)-2-methylpropan-2-amine is CC(C)(N)Cc1ccc(Cl)cc1F.
What is the InChIKey of 1-(4-chloro-2-fluorophenyl)-2-methylpropan-2-amine?
The InChIKey is WJPVJOILEBXHIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClFN/c1-10(2,13)6-7-3-4-8(11)5-9(7)12/h3-5H,6,13H2,1-2H3.
What are the key properties of 1-(4-chloro-2-fluorophenyl)-2-methylpropan-2-amine?
1-(4-chloro-2-fluorophenyl)-2-methylpropan-2-amine has a molecular weight of 201.67 g/mol, XLogP of 2.76, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-2-fluorophenyl)-2-methylpropan-2-amine is sourced from PubChem (CID 57470592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).