N-[[3-fluoro-4-(3-methyl-4-pyridinyl)phenyl]methyl]cyclopropanamine

C16H17FN2 — CID 81448066

IUPACN-[[3-fluoro-4-(3-methyl-4-pyridinyl)phenyl]methyl]cyclopropanamine
SMILESCc1cnccc1-c1ccc(CNC2CC2)cc1F
InChIInChI=1S/C16H17FN2/c1-11-9-18-7-6-14(11)15-5-2-12(8-16(15)17)10-19-13-3-4-13/h2,5-9,13,19H,3-4,10H2,1H3
InChIKeyCDFGLDBUJMHYAG-UHFFFAOYSA-N
MW256.32 g/mol
LogP3.45
Rot. Bonds4

About N-[[3-fluoro-4-(3-methyl-4-pyridinyl)phenyl]methyl]cyclopropanamine

N-[[3-fluoro-4-(3-methyl-4-pyridinyl)phenyl]methyl]cyclopropanamine (PubChem CID 81448066) has the molecular formula C16H17FN2 and a molecular weight of 256.32 g/mol. Its IUPAC name is N-[[3-fluoro-4-(3-methyl-4-pyridinyl)phenyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[3-fluoro-4-(3-methyl-4-pyridinyl)phenyl]methyl]cyclopropanamine
PubChem CID81448066
Molecular FormulaC16H17FN2
Molecular Weight256.32 g/mol
Exact Mass256.14
IUPAC NameN-[[3-fluoro-4-(3-methyl-4-pyridinyl)phenyl]methyl]cyclopropanamine
SMILESCc1cnccc1-c1ccc(CNC2CC2)cc1F
InChIInChI=1S/C16H17FN2/c1-11-9-18-7-6-14(11)15-5-2-12(8-16(15)17)10-19-13-3-4-13/h2,5-9,13,19H,3-4,10H2,1H3
InChIKeyCDFGLDBUJMHYAG-UHFFFAOYSA-N
XLogP3.45
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.32
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[3-fluoro-4-(3-methyl-4-pyridinyl)phenyl]methyl]ethanamine
CID 81447965
N-[[4-(4-chloro-2,5-dimethylphenyl)-3-fluorophenyl]methyl]cyclopropanamine
CID 81441214
N-[[4-(2-fluorophenyl)-3-methylphenyl]methyl]cyclopropanamine
CID 66480229
N-[[4-(2,4-difluoro-5-methylphenyl)-3-methylphenyl]methyl]cyclopropanamine
CID 79735800
N-[[3-fluoro-4-(3-fluoro-2-methylphenyl)phenyl]methyl]cyclopropanamine
CID 115502872
N-[[4-(4-fluoro-2-methylphenyl)-3-methylphenyl]methyl]cyclopropanamine
CID 66481803
N-[[3-fluoro-4-(3-methylthiophen-2-yl)phenyl]methyl]cyclopropanamine
CID 81447660
N-[[4-(2,5-difluorophenyl)-3-fluorophenyl]methyl]cyclopropanamine
CID 81447955
N-[[3-(2,6-difluoro-3-methylphenyl)-4-fluorophenyl]methyl]cyclopropanamine
CID 82803405
N-[[3-(2,4-difluorophenyl)-4-fluorophenyl]methyl]cyclopropanamine
CID 61033260
N-[[4-(3-fluoro-4-methylphenyl)-3-methylphenyl]methyl]cyclopropanamine
CID 115502482
N-[[4-(3,5-difluorophenyl)-3-methylphenyl]methyl]cyclopropanamine
CID 66479615

Frequently Asked Questions

What is the IUPAC name of N-[[3-fluoro-4-(3-methyl-4-pyridinyl)phenyl]methyl]cyclopropanamine?
The IUPAC name of N-[[3-fluoro-4-(3-methyl-4-pyridinyl)phenyl]methyl]cyclopropanamine (CID 81448066) is N-[[3-fluoro-4-(3-methyl-4-pyridinyl)phenyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[3-fluoro-4-(3-methyl-4-pyridinyl)phenyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[3-fluoro-4-(3-methyl-4-pyridinyl)phenyl]methyl]cyclopropanamine is Cc1cnccc1-c1ccc(CNC2CC2)cc1F.
What is the InChIKey of N-[[3-fluoro-4-(3-methyl-4-pyridinyl)phenyl]methyl]cyclopropanamine?
The InChIKey is CDFGLDBUJMHYAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN2/c1-11-9-18-7-6-14(11)15-5-2-12(8-16(15)17)10-19-13-3-4-13/h2,5-9,13,19H,3-4,10H2,1H3.
What are the key properties of N-[[3-fluoro-4-(3-methyl-4-pyridinyl)phenyl]methyl]cyclopropanamine?
N-[[3-fluoro-4-(3-methyl-4-pyridinyl)phenyl]methyl]cyclopropanamine has a molecular weight of 256.32 g/mol, XLogP of 3.45, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-fluoro-4-(3-methyl-4-pyridinyl)phenyl]methyl]cyclopropanamine is sourced from PubChem (CID 81448066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).