1-[2-(3-chloro-4-fluorophenyl)-2-methylcyclopropyl]-N-methylmethanamine

C12H15ClFN — CID 62704012

IUPAC1-[2-(3-chloro-4-fluorophenyl)-2-methylcyclopropyl]-N-methylmethanamine
SMILESCNCC1CC1(C)c1ccc(F)c(Cl)c1
InChIInChI=1S/C12H15ClFN/c1-12(6-9(12)7-15-2)8-3-4-11(14)10(13)5-8/h3-5,9,15H,6-7H2,1-2H3
InChIKeyUVLGNTPJPNUIDB-UHFFFAOYSA-N
MW227.71 g/mol
LogP2.98
Rot. Bonds3

About 1-[2-(3-chloro-4-fluorophenyl)-2-methylcyclopropyl]-N-methylmethanamine

1-[2-(3-chloro-4-fluorophenyl)-2-methylcyclopropyl]-N-methylmethanamine (PubChem CID 62704012) has the molecular formula C12H15ClFN and a molecular weight of 227.71 g/mol. Its IUPAC name is 1-[2-(3-chloro-4-fluorophenyl)-2-methylcyclopropyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[2-(3-chloro-4-fluorophenyl)-2-methylcyclopropyl]-N-methylmethanamine
PubChem CID62704012
Molecular FormulaC12H15ClFN
Molecular Weight227.71 g/mol
Exact Mass227.09
IUPAC Name1-[2-(3-chloro-4-fluorophenyl)-2-methylcyclopropyl]-N-methylmethanamine
SMILESCNCC1CC1(C)c1ccc(F)c(Cl)c1
InChIInChI=1S/C12H15ClFN/c1-12(6-9(12)7-15-2)8-3-4-11(14)10(13)5-8/h3-5,9,15H,6-7H2,1-2H3
InChIKeyUVLGNTPJPNUIDB-UHFFFAOYSA-N
XLogP2.98
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.71
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-chloro-4-fluorophenyl)-2-methylcyclopropyl]-N-methylmethanamine?
The IUPAC name of 1-[2-(3-chloro-4-fluorophenyl)-2-methylcyclopropyl]-N-methylmethanamine (CID 62704012) is 1-[2-(3-chloro-4-fluorophenyl)-2-methylcyclopropyl]-N-methylmethanamine.
What is the SMILES notation for 1-[2-(3-chloro-4-fluorophenyl)-2-methylcyclopropyl]-N-methylmethanamine?
The canonical SMILES for 1-[2-(3-chloro-4-fluorophenyl)-2-methylcyclopropyl]-N-methylmethanamine is CNCC1CC1(C)c1ccc(F)c(Cl)c1.
What is the InChIKey of 1-[2-(3-chloro-4-fluorophenyl)-2-methylcyclopropyl]-N-methylmethanamine?
The InChIKey is UVLGNTPJPNUIDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClFN/c1-12(6-9(12)7-15-2)8-3-4-11(14)10(13)5-8/h3-5,9,15H,6-7H2,1-2H3.
What are the key properties of 1-[2-(3-chloro-4-fluorophenyl)-2-methylcyclopropyl]-N-methylmethanamine?
1-[2-(3-chloro-4-fluorophenyl)-2-methylcyclopropyl]-N-methylmethanamine has a molecular weight of 227.71 g/mol, XLogP of 2.98, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-chloro-4-fluorophenyl)-2-methylcyclopropyl]-N-methylmethanamine is sourced from PubChem (CID 62704012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).