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

C18H19F2N — CID 79735800

IUPACN-[[4-(2,4-difluoro-5-methylphenyl)-3-methylphenyl]methyl]cyclopropanamine
SMILESCc1cc(-c2ccc(CNC3CC3)cc2C)c(F)cc1F
InChIInChI=1S/C18H19F2N/c1-11-7-13(10-21-14-4-5-14)3-6-15(11)16-8-12(2)17(19)9-18(16)20/h3,6-9,14,21H,4-5,10H2,1-2H3
InChIKeyBGBUFMMLICZNJQ-UHFFFAOYSA-N
MW287.35 g/mol
LogP4.50
Rot. Bonds4

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

N-[[4-(2,4-difluoro-5-methylphenyl)-3-methylphenyl]methyl]cyclopropanamine (PubChem CID 79735800) has the molecular formula C18H19F2N and a molecular weight of 287.35 g/mol. Its IUPAC name is N-[[4-(2,4-difluoro-5-methylphenyl)-3-methylphenyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[4-(2,4-difluoro-5-methylphenyl)-3-methylphenyl]methyl]cyclopropanamine
PubChem CID79735800
Molecular FormulaC18H19F2N
Molecular Weight287.35 g/mol
Exact Mass287.15
IUPAC NameN-[[4-(2,4-difluoro-5-methylphenyl)-3-methylphenyl]methyl]cyclopropanamine
SMILESCc1cc(-c2ccc(CNC3CC3)cc2C)c(F)cc1F
InChIInChI=1S/C18H19F2N/c1-11-7-13(10-21-14-4-5-14)3-6-15(11)16-8-12(2)17(19)9-18(16)20/h3,6-9,14,21H,4-5,10H2,1-2H3
InChIKeyBGBUFMMLICZNJQ-UHFFFAOYSA-N
XLogP4.50
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.35
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[[4-(4-fluoro-2-methylphenyl)-3-methylphenyl]methyl]cyclopropanamine
CID 66481803
N-[[4-(2-fluorophenyl)-3-methylphenyl]methyl]cyclopropanamine
CID 66480229
N-[[4-(3-fluoro-4-methylphenyl)-3-methylphenyl]methyl]cyclopropanamine
CID 115502482
N-[[4-(4-chloro-2,5-dimethylphenyl)-3-fluorophenyl]methyl]cyclopropanamine
CID 81441214
N-[[4-(3,5-difluorophenyl)-3-methylphenyl]methyl]cyclopropanamine
CID 66479615
N-[[4-(2,5-dichlorophenyl)-3-methylphenyl]methyl]cyclopropanamine
CID 66481414
N-[[3-fluoro-4-(3-methyl-4-pyridinyl)phenyl]methyl]cyclopropanamine
CID 81448066
4-ethyl-N-[(4-fluoro-3-methylphenyl)methyl]cyclohexan-1-amine
CID 63453712
N-[[3-(2-chloro-4,5-dimethylphenyl)-4-fluorophenyl]methyl]cyclopropanamine
CID 115484355
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-(3,4-dimethylphenyl)-3-methylphenyl]methyl]cyclopropanamine
CID 66481812

Frequently Asked Questions

What is the IUPAC name of N-[[4-(2,4-difluoro-5-methylphenyl)-3-methylphenyl]methyl]cyclopropanamine?
The IUPAC name of N-[[4-(2,4-difluoro-5-methylphenyl)-3-methylphenyl]methyl]cyclopropanamine (CID 79735800) is N-[[4-(2,4-difluoro-5-methylphenyl)-3-methylphenyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[4-(2,4-difluoro-5-methylphenyl)-3-methylphenyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[4-(2,4-difluoro-5-methylphenyl)-3-methylphenyl]methyl]cyclopropanamine is Cc1cc(-c2ccc(CNC3CC3)cc2C)c(F)cc1F.
What is the InChIKey of N-[[4-(2,4-difluoro-5-methylphenyl)-3-methylphenyl]methyl]cyclopropanamine?
The InChIKey is BGBUFMMLICZNJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F2N/c1-11-7-13(10-21-14-4-5-14)3-6-15(11)16-8-12(2)17(19)9-18(16)20/h3,6-9,14,21H,4-5,10H2,1-2H3.
What are the key properties of N-[[4-(2,4-difluoro-5-methylphenyl)-3-methylphenyl]methyl]cyclopropanamine?
N-[[4-(2,4-difluoro-5-methylphenyl)-3-methylphenyl]methyl]cyclopropanamine has a molecular weight of 287.35 g/mol, XLogP of 4.50, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(2,4-difluoro-5-methylphenyl)-3-methylphenyl]methyl]cyclopropanamine is sourced from PubChem (CID 79735800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).