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

C13H17ClFN — CID 105022658

IUPAC1-(4-chloro-2-fluorophenyl)-2-cyclopropyl-N-methylpropan-1-amine
SMILESCNC(c1ccc(Cl)cc1F)C(C)C1CC1
InChIInChI=1S/C13H17ClFN/c1-8(9-3-4-9)13(16-2)11-6-5-10(14)7-12(11)15/h5-9,13,16H,3-4H2,1-2H3
InChIKeyFKUPQHHBKUYUII-UHFFFAOYSA-N
MW241.74 g/mol
LogP3.79
Rot. Bonds4

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

1-(4-chloro-2-fluorophenyl)-2-cyclopropyl-N-methylpropan-1-amine (PubChem CID 105022658) has the molecular formula C13H17ClFN and a molecular weight of 241.74 g/mol. Its IUPAC name is 1-(4-chloro-2-fluorophenyl)-2-cyclopropyl-N-methylpropan-1-amine.

Molecular Properties

Compound Name1-(4-chloro-2-fluorophenyl)-2-cyclopropyl-N-methylpropan-1-amine
PubChem CID105022658
Molecular FormulaC13H17ClFN
Molecular Weight241.74 g/mol
Exact Mass241.10
IUPAC Name1-(4-chloro-2-fluorophenyl)-2-cyclopropyl-N-methylpropan-1-amine
SMILESCNC(c1ccc(Cl)cc1F)C(C)C1CC1
InChIInChI=1S/C13H17ClFN/c1-8(9-3-4-9)13(16-2)11-6-5-10(14)7-12(11)15/h5-9,13,16H,3-4H2,1-2H3
InChIKeyFKUPQHHBKUYUII-UHFFFAOYSA-N
XLogP3.79
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.74
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-cyclopropyl-1-(2-fluoro-4-methoxyphenyl)-N-methylpropan-1-amine
CID 83154390
1-(2-chloro-5-fluorophenyl)-2-cyclopropyl-N-methylpropan-1-amine
CID 105396910
1-(5-bromo-2-fluorophenyl)-2-cyclopropyl-N-methylpropan-1-amine
CID 105011902
1-(4-chloro-2-fluorophenyl)-2,2-difluoro-N-methylethanamine
CID 103759854
1-(4-bromo-2,5-difluorophenyl)-2-cyclopropyl-N-methylpropan-1-amine
CID 83154592
(1R)-1-(4-chloro-2-fluorophenyl)-N-methylethanamine
CID 55276652
[(4-chloro-2-fluorophenyl)-(4-propan-2-ylcyclohexyl)methyl]hydrazine
CID 105232537
[2-cyclopropyl-1-(2-fluoro-4-methoxyphenyl)propyl]hydrazine
CID 103397832
[2-cyclopropyl-1-(2,3,4-trifluorophenyl)propyl]hydrazine
CID 105305668
N-[1-(4-chloro-2-fluorophenyl)-2-methylpropyl]cyclopropanesulfonamide
CID 126783845
1-(4-chloro-2-fluorophenyl)-N-methyl-2-pyridin-2-ylpropan-1-amine
CID 66448579
2-cyclopropyl-1-(3-fluorophenyl)-N-methylpropan-1-amine
CID 115792103

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-2-fluorophenyl)-2-cyclopropyl-N-methylpropan-1-amine?
The IUPAC name of 1-(4-chloro-2-fluorophenyl)-2-cyclopropyl-N-methylpropan-1-amine (CID 105022658) is 1-(4-chloro-2-fluorophenyl)-2-cyclopropyl-N-methylpropan-1-amine.
What is the SMILES notation for 1-(4-chloro-2-fluorophenyl)-2-cyclopropyl-N-methylpropan-1-amine?
The canonical SMILES for 1-(4-chloro-2-fluorophenyl)-2-cyclopropyl-N-methylpropan-1-amine is CNC(c1ccc(Cl)cc1F)C(C)C1CC1.
What is the InChIKey of 1-(4-chloro-2-fluorophenyl)-2-cyclopropyl-N-methylpropan-1-amine?
The InChIKey is FKUPQHHBKUYUII-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClFN/c1-8(9-3-4-9)13(16-2)11-6-5-10(14)7-12(11)15/h5-9,13,16H,3-4H2,1-2H3.
What are the key properties of 1-(4-chloro-2-fluorophenyl)-2-cyclopropyl-N-methylpropan-1-amine?
1-(4-chloro-2-fluorophenyl)-2-cyclopropyl-N-methylpropan-1-amine has a molecular weight of 241.74 g/mol, XLogP of 3.79, 4 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-cyclopropyl-N-methylpropan-1-amine is sourced from PubChem (CID 105022658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).