N-[(4-chloro-2-pyridinyl)methyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine

C11H12ClF3N2 — CID 79255714

IUPACN-[(4-chloro-2-pyridinyl)methyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine
SMILESFC(F)(F)CN(Cc1cc(Cl)ccn1)C1CC1
InChIInChI=1S/C11H12ClF3N2/c12-8-3-4-16-9(5-8)6-17(10-1-2-10)7-11(13,14)15/h3-5,10H,1-2,6-7H2
InChIKeyOVJYYJOEMGRTGH-UHFFFAOYSA-N
MW264.68 g/mol
LogP3.26
Rot. Bonds4

About N-[(4-chloro-2-pyridinyl)methyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine

N-[(4-chloro-2-pyridinyl)methyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine (PubChem CID 79255714) has the molecular formula C11H12ClF3N2 and a molecular weight of 264.68 g/mol. Its IUPAC name is N-[(4-chloro-2-pyridinyl)methyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine.

Molecular Properties

Compound NameN-[(4-chloro-2-pyridinyl)methyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine
PubChem CID79255714
Molecular FormulaC11H12ClF3N2
Molecular Weight264.68 g/mol
Exact Mass264.06
IUPAC NameN-[(4-chloro-2-pyridinyl)methyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine
SMILESFC(F)(F)CN(Cc1cc(Cl)ccn1)C1CC1
InChIInChI=1S/C11H12ClF3N2/c12-8-3-4-16-9(5-8)6-17(10-1-2-10)7-11(13,14)15/h3-5,10H,1-2,6-7H2
InChIKeyOVJYYJOEMGRTGH-UHFFFAOYSA-N
XLogP3.26
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.68
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(4-chloro-2-pyridinyl)methyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine?
The IUPAC name of N-[(4-chloro-2-pyridinyl)methyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine (CID 79255714) is N-[(4-chloro-2-pyridinyl)methyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine.
What is the SMILES notation for N-[(4-chloro-2-pyridinyl)methyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine?
The canonical SMILES for N-[(4-chloro-2-pyridinyl)methyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine is FC(F)(F)CN(Cc1cc(Cl)ccn1)C1CC1.
What is the InChIKey of N-[(4-chloro-2-pyridinyl)methyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine?
The InChIKey is OVJYYJOEMGRTGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClF3N2/c12-8-3-4-16-9(5-8)6-17(10-1-2-10)7-11(13,14)15/h3-5,10H,1-2,6-7H2.
What are the key properties of N-[(4-chloro-2-pyridinyl)methyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine?
N-[(4-chloro-2-pyridinyl)methyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine has a molecular weight of 264.68 g/mol, XLogP of 3.26, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chloro-2-pyridinyl)methyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine is sourced from PubChem (CID 79255714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).