N-[[3-fluoro-4-(3-fluoro-2-methylphenyl)phenyl]methyl]cyclopropanamine

C17H17F2N — CID 115502872

IUPACN-[[3-fluoro-4-(3-fluoro-2-methylphenyl)phenyl]methyl]cyclopropanamine
SMILESCc1c(F)cccc1-c1ccc(CNC2CC2)cc1F
InChIInChI=1S/C17H17F2N/c1-11-14(3-2-4-16(11)18)15-8-5-12(9-17(15)19)10-20-13-6-7-13/h2-5,8-9,13,20H,6-7,10H2,1H3
InChIKeySAPYCMJBQLFSKK-UHFFFAOYSA-N
MW273.33 g/mol
LogP4.19
Rot. Bonds4

About N-[[3-fluoro-4-(3-fluoro-2-methylphenyl)phenyl]methyl]cyclopropanamine

N-[[3-fluoro-4-(3-fluoro-2-methylphenyl)phenyl]methyl]cyclopropanamine (PubChem CID 115502872) has the molecular formula C17H17F2N and a molecular weight of 273.33 g/mol. Its IUPAC name is N-[[3-fluoro-4-(3-fluoro-2-methylphenyl)phenyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[3-fluoro-4-(3-fluoro-2-methylphenyl)phenyl]methyl]cyclopropanamine
PubChem CID115502872
Molecular FormulaC17H17F2N
Molecular Weight273.33 g/mol
Exact Mass273.13
IUPAC NameN-[[3-fluoro-4-(3-fluoro-2-methylphenyl)phenyl]methyl]cyclopropanamine
SMILESCc1c(F)cccc1-c1ccc(CNC2CC2)cc1F
InChIInChI=1S/C17H17F2N/c1-11-14(3-2-4-16(11)18)15-8-5-12(9-17(15)19)10-20-13-6-7-13/h2-5,8-9,13,20H,6-7,10H2,1H3
InChIKeySAPYCMJBQLFSKK-UHFFFAOYSA-N
XLogP4.19
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.33
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[[4-(2-fluorophenyl)-3-methylphenyl]methyl]cyclopropanamine
CID 66480229
N-[[3-fluoro-4-(2-fluoro-3-methoxyphenyl)phenyl]methyl]cyclopropanamine
CID 82792350
N-[[4-(4-chloro-2,5-dimethylphenyl)-3-fluorophenyl]methyl]cyclopropanamine
CID 81441214
N-[[4-(2,5-difluorophenyl)-3-fluorophenyl]methyl]cyclopropanamine
CID 81447955
N-[[4-(2,3-dihydro-1-benzofuran-7-yl)-3-fluorophenyl]methyl]cyclopropanamine
CID 114746570
N-[[3-fluoro-4-(3-methyl-4-pyridinyl)phenyl]methyl]cyclopropanamine
CID 81448066
N-[[3-fluoro-4-(3-propylphenyl)phenyl]methyl]cyclopropanamine
CID 116545362
N-[[4-(2,4-difluoro-5-methylphenyl)-3-methylphenyl]methyl]cyclopropanamine
CID 79735800
N-[[3-fluoro-4-(3-methylthiophen-2-yl)phenyl]methyl]cyclopropanamine
CID 81447660
N-[[3-(2,4-difluorophenyl)-4-fluorophenyl]methyl]cyclopropanamine
CID 61033260
N-[[4-(4-fluoro-2-methylphenyl)-3-methylphenyl]methyl]cyclopropanamine
CID 66481803
[4-[(cyclopropylamino)methyl]-2-fluorophenyl]boronic acid
CID 56776658

Frequently Asked Questions

What is the IUPAC name of N-[[3-fluoro-4-(3-fluoro-2-methylphenyl)phenyl]methyl]cyclopropanamine?
The IUPAC name of N-[[3-fluoro-4-(3-fluoro-2-methylphenyl)phenyl]methyl]cyclopropanamine (CID 115502872) is N-[[3-fluoro-4-(3-fluoro-2-methylphenyl)phenyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[3-fluoro-4-(3-fluoro-2-methylphenyl)phenyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[3-fluoro-4-(3-fluoro-2-methylphenyl)phenyl]methyl]cyclopropanamine is Cc1c(F)cccc1-c1ccc(CNC2CC2)cc1F.
What is the InChIKey of N-[[3-fluoro-4-(3-fluoro-2-methylphenyl)phenyl]methyl]cyclopropanamine?
The InChIKey is SAPYCMJBQLFSKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F2N/c1-11-14(3-2-4-16(11)18)15-8-5-12(9-17(15)19)10-20-13-6-7-13/h2-5,8-9,13,20H,6-7,10H2,1H3.
What are the key properties of N-[[3-fluoro-4-(3-fluoro-2-methylphenyl)phenyl]methyl]cyclopropanamine?
N-[[3-fluoro-4-(3-fluoro-2-methylphenyl)phenyl]methyl]cyclopropanamine has a molecular weight of 273.33 g/mol, XLogP of 4.19, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-fluoro-4-(3-fluoro-2-methylphenyl)phenyl]methyl]cyclopropanamine is sourced from PubChem (CID 115502872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).