N-[3-(2-chloro-3-fluorophenyl)-2-methylpropyl]cyclopropanamine

C13H17ClFN — CID 112654135

IUPACN-[3-(2-chloro-3-fluorophenyl)-2-methylpropyl]cyclopropanamine
SMILESCC(CNC1CC1)Cc1cccc(F)c1Cl
InChIInChI=1S/C13H17ClFN/c1-9(8-16-11-5-6-11)7-10-3-2-4-12(15)13(10)14/h2-4,9,11,16H,5-8H2,1H3
InChIKeyKCJASGPDRYCWMP-UHFFFAOYSA-N
MW241.74 g/mol
LogP3.41
Rot. Bonds5

About N-[3-(2-chloro-3-fluorophenyl)-2-methylpropyl]cyclopropanamine

N-[3-(2-chloro-3-fluorophenyl)-2-methylpropyl]cyclopropanamine (PubChem CID 112654135) has the molecular formula C13H17ClFN and a molecular weight of 241.74 g/mol. Its IUPAC name is N-[3-(2-chloro-3-fluorophenyl)-2-methylpropyl]cyclopropanamine.

Molecular Properties

Compound NameN-[3-(2-chloro-3-fluorophenyl)-2-methylpropyl]cyclopropanamine
PubChem CID112654135
Molecular FormulaC13H17ClFN
Molecular Weight241.74 g/mol
Exact Mass241.10
IUPAC NameN-[3-(2-chloro-3-fluorophenyl)-2-methylpropyl]cyclopropanamine
SMILESCC(CNC1CC1)Cc1cccc(F)c1Cl
InChIInChI=1S/C13H17ClFN/c1-9(8-16-11-5-6-11)7-10-3-2-4-12(15)13(10)14/h2-4,9,11,16H,5-8H2,1H3
InChIKeyKCJASGPDRYCWMP-UHFFFAOYSA-N
XLogP3.41
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.74
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[3-(2-chloro-3-fluorophenyl)-2-methylpropyl]cyclobutanamine
CID 114899173
N-[2-[(2-chloro-3-fluorophenyl)methyl]pentyl]cyclopropanamine
CID 112654147
N-[3-(2-chloro-4-fluorophenyl)-2-methylpropyl]cyclopropanamine
CID 62528488
2-(2-chloro-3-fluorophenyl)-1-cyclobutyl-N-methylethanamine
CID 112653742
N-[4-(2,3-difluorophenyl)-2,3-dimethylbutyl]cyclopropanamine
CID 81015413
N-[(2-chloro-3-fluorophenyl)methyl]cyclopentanamine
CID 81453825
N-[3-(2,6-difluorophenoxy)-2-methylpropyl]cyclopropanamine
CID 81269605
N-[3-(5-bromo-2-fluorophenyl)-2-methylpropyl]cyclopropanamine
CID 62528286
4-(2-chloro-3-fluorophenyl)-3-methyl-N-propan-2-ylbutan-1-amine
CID 112655054
N-[2-[(3-chloro-2-fluorophenyl)methyl]-4-methylpentyl]cyclopropanamine
CID 102858662
2-(2-chloro-3-fluorophenyl)-1-cyclopentylethanol
CID 112653044
2-(2-chloro-3-fluorophenyl)-1-cyclooctyl-N-ethylethanamine
CID 115983923

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-chloro-3-fluorophenyl)-2-methylpropyl]cyclopropanamine?
The IUPAC name of N-[3-(2-chloro-3-fluorophenyl)-2-methylpropyl]cyclopropanamine (CID 112654135) is N-[3-(2-chloro-3-fluorophenyl)-2-methylpropyl]cyclopropanamine.
What is the SMILES notation for N-[3-(2-chloro-3-fluorophenyl)-2-methylpropyl]cyclopropanamine?
The canonical SMILES for N-[3-(2-chloro-3-fluorophenyl)-2-methylpropyl]cyclopropanamine is CC(CNC1CC1)Cc1cccc(F)c1Cl.
What is the InChIKey of N-[3-(2-chloro-3-fluorophenyl)-2-methylpropyl]cyclopropanamine?
The InChIKey is KCJASGPDRYCWMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClFN/c1-9(8-16-11-5-6-11)7-10-3-2-4-12(15)13(10)14/h2-4,9,11,16H,5-8H2,1H3.
What are the key properties of N-[3-(2-chloro-3-fluorophenyl)-2-methylpropyl]cyclopropanamine?
N-[3-(2-chloro-3-fluorophenyl)-2-methylpropyl]cyclopropanamine has a molecular weight of 241.74 g/mol, XLogP of 3.41, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-chloro-3-fluorophenyl)-2-methylpropyl]cyclopropanamine is sourced from PubChem (CID 112654135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).