N-[[3-(2,6-difluoro-3-methylphenyl)-4-fluorophenyl]methyl]cyclopropanamine

C17H16F3N — CID 82803405

IUPACN-[[3-(2,6-difluoro-3-methylphenyl)-4-fluorophenyl]methyl]cyclopropanamine
SMILESCc1ccc(F)c(-c2cc(CNC3CC3)ccc2F)c1F
InChIInChI=1S/C17H16F3N/c1-10-2-6-15(19)16(17(10)20)13-8-11(3-7-14(13)18)9-21-12-4-5-12/h2-3,6-8,12,21H,4-5,9H2,1H3
InChIKeyADDHZMFRRZSGJM-UHFFFAOYSA-N
MW291.32 g/mol
LogP4.33
Rot. Bonds4

About N-[[3-(2,6-difluoro-3-methylphenyl)-4-fluorophenyl]methyl]cyclopropanamine

N-[[3-(2,6-difluoro-3-methylphenyl)-4-fluorophenyl]methyl]cyclopropanamine (PubChem CID 82803405) has the molecular formula C17H16F3N and a molecular weight of 291.32 g/mol. Its IUPAC name is N-[[3-(2,6-difluoro-3-methylphenyl)-4-fluorophenyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[3-(2,6-difluoro-3-methylphenyl)-4-fluorophenyl]methyl]cyclopropanamine
PubChem CID82803405
Molecular FormulaC17H16F3N
Molecular Weight291.32 g/mol
Exact Mass291.12
IUPAC NameN-[[3-(2,6-difluoro-3-methylphenyl)-4-fluorophenyl]methyl]cyclopropanamine
SMILESCc1ccc(F)c(-c2cc(CNC3CC3)ccc2F)c1F
InChIInChI=1S/C17H16F3N/c1-10-2-6-15(19)16(17(10)20)13-8-11(3-7-14(13)18)9-21-12-4-5-12/h2-3,6-8,12,21H,4-5,9H2,1H3
InChIKeyADDHZMFRRZSGJM-UHFFFAOYSA-N
XLogP4.33
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.32
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[[3-(2-chloro-4,5-dimethylphenyl)-4-fluorophenyl]methyl]cyclopropanamine
CID 115484355
N-[[3-(2-chloro-4,5-difluorophenyl)-4-methylphenyl]methyl]cyclopropanamine
CID 107476925
N-[[4-(2-fluorophenyl)-3-methylphenyl]methyl]cyclopropanamine
CID 66480229
N-[[3-(2,4-difluorophenyl)-4-fluorophenyl]methyl]cyclopropanamine
CID 61033260
N-[[4-(3-fluoro-4-methylphenyl)-3-methylphenyl]methyl]cyclopropanamine
CID 115502482
4-ethyl-N-[(4-fluoro-3-methylphenyl)methyl]cyclohexan-1-amine
CID 63453712
N-[[4-(4-fluoro-2-methylphenyl)-3-methylphenyl]methyl]cyclopropanamine
CID 66481803
N-[[4-(2,4-difluoro-5-methylphenyl)-3-methylphenyl]methyl]cyclopropanamine
CID 79735800
N-[[4-fluoro-3-(1-methylpyrazol-3-yl)phenyl]methyl]cyclopropanamine
CID 103131603
N-[[4-(2,5-difluorophenyl)-3-fluorophenyl]methyl]cyclopropanamine
CID 81447955
N-[[3-fluoro-4-(3-methyl-4-pyridinyl)phenyl]methyl]cyclopropanamine
CID 81448066
N-[[4-(3,5-dichlorophenyl)-3-methylphenyl]methyl]cyclopropanamine
CID 114879154

Frequently Asked Questions

What is the IUPAC name of N-[[3-(2,6-difluoro-3-methylphenyl)-4-fluorophenyl]methyl]cyclopropanamine?
The IUPAC name of N-[[3-(2,6-difluoro-3-methylphenyl)-4-fluorophenyl]methyl]cyclopropanamine (CID 82803405) is N-[[3-(2,6-difluoro-3-methylphenyl)-4-fluorophenyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[3-(2,6-difluoro-3-methylphenyl)-4-fluorophenyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[3-(2,6-difluoro-3-methylphenyl)-4-fluorophenyl]methyl]cyclopropanamine is Cc1ccc(F)c(-c2cc(CNC3CC3)ccc2F)c1F.
What is the InChIKey of N-[[3-(2,6-difluoro-3-methylphenyl)-4-fluorophenyl]methyl]cyclopropanamine?
The InChIKey is ADDHZMFRRZSGJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F3N/c1-10-2-6-15(19)16(17(10)20)13-8-11(3-7-14(13)18)9-21-12-4-5-12/h2-3,6-8,12,21H,4-5,9H2,1H3.
What are the key properties of N-[[3-(2,6-difluoro-3-methylphenyl)-4-fluorophenyl]methyl]cyclopropanamine?
N-[[3-(2,6-difluoro-3-methylphenyl)-4-fluorophenyl]methyl]cyclopropanamine has a molecular weight of 291.32 g/mol, XLogP of 4.33, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(2,6-difluoro-3-methylphenyl)-4-fluorophenyl]methyl]cyclopropanamine is sourced from PubChem (CID 82803405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).