N-[3-(2,3-dichlorophenyl)-2-methylbutyl]cyclopropanamine

C14H19Cl2N — CID 81015081

IUPACN-[3-(2,3-dichlorophenyl)-2-methylbutyl]cyclopropanamine
SMILESCC(CNC1CC1)C(C)c1cccc(Cl)c1Cl
InChIInChI=1S/C14H19Cl2N/c1-9(8-17-11-6-7-11)10(2)12-4-3-5-13(15)14(12)16/h3-5,9-11,17H,6-8H2,1-2H3
InChIKeyLGTXJMBSEXDWJX-UHFFFAOYSA-N
MW272.22 g/mol
LogP4.49
Rot. Bonds5

About N-[3-(2,3-dichlorophenyl)-2-methylbutyl]cyclopropanamine

N-[3-(2,3-dichlorophenyl)-2-methylbutyl]cyclopropanamine (PubChem CID 81015081) has the molecular formula C14H19Cl2N and a molecular weight of 272.22 g/mol. Its IUPAC name is N-[3-(2,3-dichlorophenyl)-2-methylbutyl]cyclopropanamine.

Molecular Properties

Compound NameN-[3-(2,3-dichlorophenyl)-2-methylbutyl]cyclopropanamine
PubChem CID81015081
Molecular FormulaC14H19Cl2N
Molecular Weight272.22 g/mol
Exact Mass271.09
IUPAC NameN-[3-(2,3-dichlorophenyl)-2-methylbutyl]cyclopropanamine
SMILESCC(CNC1CC1)C(C)c1cccc(Cl)c1Cl
InChIInChI=1S/C14H19Cl2N/c1-9(8-17-11-6-7-11)10(2)12-4-3-5-13(15)14(12)16/h3-5,9-11,17H,6-8H2,1-2H3
InChIKeyLGTXJMBSEXDWJX-UHFFFAOYSA-N
XLogP4.49
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.22
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[2-methyl-3-(2-methylphenyl)butyl]cyclopropanamine
CID 81015304
N-[3-(3-chlorothiophen-2-yl)-2-methylbutyl]cyclopropanamine
CID 107361238
N-[4-(2,6-dichlorophenyl)-2-methylbutyl]cyclopropanamine
CID 64663727
N-[3-(2,3-difluoro-4-methylphenyl)-2-methylbutyl]cyclopropanamine
CID 107514728
1-(cyclopropylamino)-N-(2,3-dichlorophenyl)propane-2-sulfonamide
CID 106030643
2-(cyclobutylamino)-1-(2,3-dichlorophenyl)ethanol;2-(2,3-dichlorophenyl)oxirane
CID 161287021
N-[2-(2-chlorophenyl)-2-(2-methylpropoxy)ethyl]cyclopropanamine
CID 62108652
N-[2-(2,3-dichlorophenoxy)propyl]cyclopentanamine
CID 62599040
2-N-cyclopropyl-1-N-[1-(2,3-dichlorophenyl)ethyl]-2-N-methylpropane-1,2-diamine
CID 103781583
N-[(2,3-dichlorophenyl)methyl]cyclopropanamine;hydrochloride
CID 46835187
N-[3-(2-chlorophenoxy)-2-methylpropyl]cyclopropanamine
CID 62454591
N-[cyclobutyl-(2,3-dichlorophenyl)methyl]ethanamine
CID 64986692

Frequently Asked Questions

What is the IUPAC name of N-[3-(2,3-dichlorophenyl)-2-methylbutyl]cyclopropanamine?
The IUPAC name of N-[3-(2,3-dichlorophenyl)-2-methylbutyl]cyclopropanamine (CID 81015081) is N-[3-(2,3-dichlorophenyl)-2-methylbutyl]cyclopropanamine.
What is the SMILES notation for N-[3-(2,3-dichlorophenyl)-2-methylbutyl]cyclopropanamine?
The canonical SMILES for N-[3-(2,3-dichlorophenyl)-2-methylbutyl]cyclopropanamine is CC(CNC1CC1)C(C)c1cccc(Cl)c1Cl.
What is the InChIKey of N-[3-(2,3-dichlorophenyl)-2-methylbutyl]cyclopropanamine?
The InChIKey is LGTXJMBSEXDWJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19Cl2N/c1-9(8-17-11-6-7-11)10(2)12-4-3-5-13(15)14(12)16/h3-5,9-11,17H,6-8H2,1-2H3.
What are the key properties of N-[3-(2,3-dichlorophenyl)-2-methylbutyl]cyclopropanamine?
N-[3-(2,3-dichlorophenyl)-2-methylbutyl]cyclopropanamine has a molecular weight of 272.22 g/mol, XLogP of 4.49, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2,3-dichlorophenyl)-2-methylbutyl]cyclopropanamine is sourced from PubChem (CID 81015081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).