N-[[5-(2,3-difluoro-4-methylphenyl)-3-pyridinyl]methyl]cyclopropanamine

C16H16F2N2 — CID 107514144

IUPACN-[[5-(2,3-difluoro-4-methylphenyl)-3-pyridinyl]methyl]cyclopropanamine
SMILESCc1ccc(-c2cncc(CNC3CC3)c2)c(F)c1F
InChIInChI=1S/C16H16F2N2/c1-10-2-5-14(16(18)15(10)17)12-6-11(7-19-9-12)8-20-13-3-4-13/h2,5-7,9,13,20H,3-4,8H2,1H3
InChIKeySFYUVURGFFOXDD-UHFFFAOYSA-N
MW274.31 g/mol
LogP3.59
Rot. Bonds4

About N-[[5-(2,3-difluoro-4-methylphenyl)-3-pyridinyl]methyl]cyclopropanamine

N-[[5-(2,3-difluoro-4-methylphenyl)-3-pyridinyl]methyl]cyclopropanamine (PubChem CID 107514144) has the molecular formula C16H16F2N2 and a molecular weight of 274.31 g/mol. Its IUPAC name is N-[[5-(2,3-difluoro-4-methylphenyl)-3-pyridinyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[5-(2,3-difluoro-4-methylphenyl)-3-pyridinyl]methyl]cyclopropanamine
PubChem CID107514144
Molecular FormulaC16H16F2N2
Molecular Weight274.31 g/mol
Exact Mass274.13
IUPAC NameN-[[5-(2,3-difluoro-4-methylphenyl)-3-pyridinyl]methyl]cyclopropanamine
SMILESCc1ccc(-c2cncc(CNC3CC3)c2)c(F)c1F
InChIInChI=1S/C16H16F2N2/c1-10-2-5-14(16(18)15(10)17)12-6-11(7-19-9-12)8-20-13-3-4-13/h2,5-7,9,13,20H,3-4,8H2,1H3
InChIKeySFYUVURGFFOXDD-UHFFFAOYSA-N
XLogP3.59
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.31
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[5-(2,3-difluoro-4-methylphenyl)-3-pyridinyl]-N-methylmethanamine
CID 107514107
N-[[5-(2-chloro-5-fluorophenyl)-3-pyridinyl]methyl]cyclopropanamine
CID 105395766
N-[[5-(3-bromo-2,6-difluorophenyl)-3-pyridinyl]methyl]cyclopropanamine
CID 106943333
N-[[5-(3-propylphenyl)-3-pyridinyl]methyl]cyclopropanamine
CID 116545369
N-[[4-(3-fluoro-4-methylphenyl)-3-methylphenyl]methyl]cyclopropanamine
CID 115502482
N-[[3-fluoro-4-(3-methyl-4-pyridinyl)phenyl]methyl]cyclopropanamine
CID 81448066
1-[5-(4-fluoro-2-methylphenyl)-3-pyridinyl]-N-methylmethanamine
CID 113469674
N-[[4-(3,5-difluorophenyl)-3-methylphenyl]methyl]cyclopropanamine
CID 66479615
N-[[3-(2,6-difluoro-3-methylphenyl)-4-fluorophenyl]methyl]cyclopropanamine
CID 82803405
N-[[5-(5-methyl-1-benzofuran-2-yl)-3-pyridinyl]methyl]cyclopropanamine
CID 114732262
N-[[4-(4-fluoro-2-methylphenyl)-3-methylphenyl]methyl]cyclopropanamine
CID 66481803
5-[(cyclopropylamino)methyl]pyridin-3-amine
CID 117212683

Frequently Asked Questions

What is the IUPAC name of N-[[5-(2,3-difluoro-4-methylphenyl)-3-pyridinyl]methyl]cyclopropanamine?
The IUPAC name of N-[[5-(2,3-difluoro-4-methylphenyl)-3-pyridinyl]methyl]cyclopropanamine (CID 107514144) is N-[[5-(2,3-difluoro-4-methylphenyl)-3-pyridinyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[5-(2,3-difluoro-4-methylphenyl)-3-pyridinyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[5-(2,3-difluoro-4-methylphenyl)-3-pyridinyl]methyl]cyclopropanamine is Cc1ccc(-c2cncc(CNC3CC3)c2)c(F)c1F.
What is the InChIKey of N-[[5-(2,3-difluoro-4-methylphenyl)-3-pyridinyl]methyl]cyclopropanamine?
The InChIKey is SFYUVURGFFOXDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F2N2/c1-10-2-5-14(16(18)15(10)17)12-6-11(7-19-9-12)8-20-13-3-4-13/h2,5-7,9,13,20H,3-4,8H2,1H3.
What are the key properties of N-[[5-(2,3-difluoro-4-methylphenyl)-3-pyridinyl]methyl]cyclopropanamine?
N-[[5-(2,3-difluoro-4-methylphenyl)-3-pyridinyl]methyl]cyclopropanamine has a molecular weight of 274.31 g/mol, XLogP of 3.59, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(2,3-difluoro-4-methylphenyl)-3-pyridinyl]methyl]cyclopropanamine is sourced from PubChem (CID 107514144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).