N-[[5-chloro-2-(4-fluoro-2,6-dimethylphenyl)phenyl]methyl]cyclopropanamine

C18H19ClFN — CID 106879368

IUPACN-[[5-chloro-2-(4-fluoro-2,6-dimethylphenyl)phenyl]methyl]cyclopropanamine
SMILESCc1cc(F)cc(C)c1-c1ccc(Cl)cc1CNC1CC1
InChIInChI=1S/C18H19ClFN/c1-11-7-15(20)8-12(2)18(11)17-6-3-14(19)9-13(17)10-21-16-4-5-16/h3,6-9,16,21H,4-5,10H2,1-2H3
InChIKeyLAMTVGCDOLSOKP-UHFFFAOYSA-N
MW303.81 g/mol
LogP5.01
Rot. Bonds4

About N-[[5-chloro-2-(4-fluoro-2,6-dimethylphenyl)phenyl]methyl]cyclopropanamine

N-[[5-chloro-2-(4-fluoro-2,6-dimethylphenyl)phenyl]methyl]cyclopropanamine (PubChem CID 106879368) has the molecular formula C18H19ClFN and a molecular weight of 303.81 g/mol. Its IUPAC name is N-[[5-chloro-2-(4-fluoro-2,6-dimethylphenyl)phenyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[5-chloro-2-(4-fluoro-2,6-dimethylphenyl)phenyl]methyl]cyclopropanamine
PubChem CID106879368
Molecular FormulaC18H19ClFN
Molecular Weight303.81 g/mol
Exact Mass303.12
IUPAC NameN-[[5-chloro-2-(4-fluoro-2,6-dimethylphenyl)phenyl]methyl]cyclopropanamine
SMILESCc1cc(F)cc(C)c1-c1ccc(Cl)cc1CNC1CC1
InChIInChI=1S/C18H19ClFN/c1-11-7-15(20)8-12(2)18(11)17-6-3-14(19)9-13(17)10-21-16-4-5-16/h3,6-9,16,21H,4-5,10H2,1-2H3
InChIKeyLAMTVGCDOLSOKP-UHFFFAOYSA-N
XLogP5.01
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500303.81
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[[4-chloro-2-(4-fluoro-2-methylphenoxy)phenyl]methyl]cyclopropanamine
CID 114857647
N-[[5-chloro-2-(4-ethylphenyl)phenyl]methyl]cyclopropanamine
CID 66158934
N-[[5-chloro-2-(2-methoxy-5-methylphenyl)phenyl]methyl]cyclopropanamine
CID 66161691
N-[(5-chloro-2-pyrimidin-5-ylphenyl)methyl]cyclopropanamine
CID 66160891
N-[[4-(4-fluoro-2-methylphenyl)-3-methylphenyl]methyl]cyclopropanamine
CID 66481803
N-[[5-(3,4-dimethylphenyl)-2-fluorophenyl]methyl]cyclopropanamine
CID 63424844
N-[(5-chloro-2-fluorophenyl)methyl]-4-(2-methylbutan-2-yl)cyclohexan-1-amine
CID 114841579
5-chloro-2-[(cyclopropylamino)methyl]-N-(4-fluorophenyl)-N-methylaniline
CID 114850424
3-chloro-N-[(5-chloro-2-fluorophenyl)methyl]cyclobutan-1-amine
CID 103050005
N-[(2,5-dichlorophenyl)methyl]-4-methylcyclohexan-1-amine
CID 65316304
N-[[5-chloro-2-(2-methylpropyl)phenyl]methyl]cyclopropanamine
CID 66161100
N-[[4-(2,5-dichlorophenyl)-3-methylphenyl]methyl]cyclopropanamine
CID 66481414

Frequently Asked Questions

What is the IUPAC name of N-[[5-chloro-2-(4-fluoro-2,6-dimethylphenyl)phenyl]methyl]cyclopropanamine?
The IUPAC name of N-[[5-chloro-2-(4-fluoro-2,6-dimethylphenyl)phenyl]methyl]cyclopropanamine (CID 106879368) is N-[[5-chloro-2-(4-fluoro-2,6-dimethylphenyl)phenyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[5-chloro-2-(4-fluoro-2,6-dimethylphenyl)phenyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[5-chloro-2-(4-fluoro-2,6-dimethylphenyl)phenyl]methyl]cyclopropanamine is Cc1cc(F)cc(C)c1-c1ccc(Cl)cc1CNC1CC1.
What is the InChIKey of N-[[5-chloro-2-(4-fluoro-2,6-dimethylphenyl)phenyl]methyl]cyclopropanamine?
The InChIKey is LAMTVGCDOLSOKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClFN/c1-11-7-15(20)8-12(2)18(11)17-6-3-14(19)9-13(17)10-21-16-4-5-16/h3,6-9,16,21H,4-5,10H2,1-2H3.
What are the key properties of N-[[5-chloro-2-(4-fluoro-2,6-dimethylphenyl)phenyl]methyl]cyclopropanamine?
N-[[5-chloro-2-(4-fluoro-2,6-dimethylphenyl)phenyl]methyl]cyclopropanamine has a molecular weight of 303.81 g/mol, XLogP of 5.01, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-chloro-2-(4-fluoro-2,6-dimethylphenyl)phenyl]methyl]cyclopropanamine is sourced from PubChem (CID 106879368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).