N-[[5-(2-chloro-5-fluorophenyl)-3-pyridinyl]methyl]cyclopropanamine

C15H14ClFN2 — CID 105395766

IUPACN-[[5-(2-chloro-5-fluorophenyl)-3-pyridinyl]methyl]cyclopropanamine
SMILESFc1ccc(Cl)c(-c2cncc(CNC3CC3)c2)c1
InChIInChI=1S/C15H14ClFN2/c16-15-4-1-12(17)6-14(15)11-5-10(7-18-9-11)8-19-13-2-3-13/h1,4-7,9,13,19H,2-3,8H2
InChIKeyJZWZNEYOXMBSEW-UHFFFAOYSA-N
MW276.74 g/mol
LogP3.79
Rot. Bonds4

About N-[[5-(2-chloro-5-fluorophenyl)-3-pyridinyl]methyl]cyclopropanamine

N-[[5-(2-chloro-5-fluorophenyl)-3-pyridinyl]methyl]cyclopropanamine (PubChem CID 105395766) has the molecular formula C15H14ClFN2 and a molecular weight of 276.74 g/mol. Its IUPAC name is N-[[5-(2-chloro-5-fluorophenyl)-3-pyridinyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[5-(2-chloro-5-fluorophenyl)-3-pyridinyl]methyl]cyclopropanamine
PubChem CID105395766
Molecular FormulaC15H14ClFN2
Molecular Weight276.74 g/mol
Exact Mass276.08
IUPAC NameN-[[5-(2-chloro-5-fluorophenyl)-3-pyridinyl]methyl]cyclopropanamine
SMILESFc1ccc(Cl)c(-c2cncc(CNC3CC3)c2)c1
InChIInChI=1S/C15H14ClFN2/c16-15-4-1-12(17)6-14(15)11-5-10(7-18-9-11)8-19-13-2-3-13/h1,4-7,9,13,19H,2-3,8H2
InChIKeyJZWZNEYOXMBSEW-UHFFFAOYSA-N
XLogP3.79
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.74
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[5-(2,3-difluoro-4-methylphenyl)-3-pyridinyl]methyl]cyclopropanamine
CID 107514144
N-[[5-(3-bromo-2,6-difluorophenyl)-3-pyridinyl]methyl]cyclopropanamine
CID 106943333
4-chloro-N-[(2-chloro-5-fluorophenyl)methyl]cyclohexan-1-amine
CID 102620151
N-[[2-(2-bromo-5-fluorophenyl)pyrimidin-5-yl]methyl]cyclopropanamine
CID 107924211
N-[[5-(3-propylphenyl)-3-pyridinyl]methyl]cyclopropanamine
CID 116545369
5-[(cyclopropylamino)methyl]pyridin-3-amine
CID 117212683
N-[[4-(2,5-difluorophenyl)-3-fluorophenyl]methyl]cyclopropanamine
CID 81447955
N-[[5-(2-chloro-4-fluorophenyl)-1,3-oxazol-2-yl]methyl]cyclopropanamine
CID 65183911
N-[[2-(2-chloro-4-fluorophenyl)phenyl]methyl]cyclopropanamine
CID 115504969
1-[5-(4-fluoro-2-methylphenyl)-3-pyridinyl]-N-methylmethanamine
CID 113469674
N-[[3-(3,4-dichlorophenoxy)-5-fluorophenyl]methyl]cyclopropanamine
CID 106533461
N-[[4-[(2-chloro-4-fluorophenoxy)methyl]phenyl]methyl]cyclopropanamine
CID 62452280

Frequently Asked Questions

What is the IUPAC name of N-[[5-(2-chloro-5-fluorophenyl)-3-pyridinyl]methyl]cyclopropanamine?
The IUPAC name of N-[[5-(2-chloro-5-fluorophenyl)-3-pyridinyl]methyl]cyclopropanamine (CID 105395766) is N-[[5-(2-chloro-5-fluorophenyl)-3-pyridinyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[5-(2-chloro-5-fluorophenyl)-3-pyridinyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[5-(2-chloro-5-fluorophenyl)-3-pyridinyl]methyl]cyclopropanamine is Fc1ccc(Cl)c(-c2cncc(CNC3CC3)c2)c1.
What is the InChIKey of N-[[5-(2-chloro-5-fluorophenyl)-3-pyridinyl]methyl]cyclopropanamine?
The InChIKey is JZWZNEYOXMBSEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClFN2/c16-15-4-1-12(17)6-14(15)11-5-10(7-18-9-11)8-19-13-2-3-13/h1,4-7,9,13,19H,2-3,8H2.
What are the key properties of N-[[5-(2-chloro-5-fluorophenyl)-3-pyridinyl]methyl]cyclopropanamine?
N-[[5-(2-chloro-5-fluorophenyl)-3-pyridinyl]methyl]cyclopropanamine has a molecular weight of 276.74 g/mol, XLogP of 3.79, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(2-chloro-5-fluorophenyl)-3-pyridinyl]methyl]cyclopropanamine is sourced from PubChem (CID 105395766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).