N-[[1-(3,4-dichlorophenyl)-2-methylcyclobutyl]methyl]cyclopropanamine

C15H19Cl2N — CID 66424142

IUPACN-[[1-(3,4-dichlorophenyl)-2-methylcyclobutyl]methyl]cyclopropanamine
SMILESCC1CCC1(CNC1CC1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C15H19Cl2N/c1-10-6-7-15(10,9-18-12-3-4-12)11-2-5-13(16)14(17)8-11/h2,5,8,10,12,18H,3-4,6-7,9H2,1H3
InChIKeySLFYSVLOSQVCLG-UHFFFAOYSA-N
MW284.23 g/mol
LogP4.41
Rot. Bonds4

About N-[[1-(3,4-dichlorophenyl)-2-methylcyclobutyl]methyl]cyclopropanamine

N-[[1-(3,4-dichlorophenyl)-2-methylcyclobutyl]methyl]cyclopropanamine (PubChem CID 66424142) has the molecular formula C15H19Cl2N and a molecular weight of 284.23 g/mol. Its IUPAC name is N-[[1-(3,4-dichlorophenyl)-2-methylcyclobutyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[1-(3,4-dichlorophenyl)-2-methylcyclobutyl]methyl]cyclopropanamine
PubChem CID66424142
Molecular FormulaC15H19Cl2N
Molecular Weight284.23 g/mol
Exact Mass283.09
IUPAC NameN-[[1-(3,4-dichlorophenyl)-2-methylcyclobutyl]methyl]cyclopropanamine
SMILESCC1CCC1(CNC1CC1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C15H19Cl2N/c1-10-6-7-15(10,9-18-12-3-4-12)11-2-5-13(16)14(17)8-11/h2,5,8,10,12,18H,3-4,6-7,9H2,1H3
InChIKeySLFYSVLOSQVCLG-UHFFFAOYSA-N
XLogP4.41
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.23
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(3,4-dichlorophenyl)-2-methylcyclobutyl]methyl]cyclopropanamine?
The IUPAC name of N-[[1-(3,4-dichlorophenyl)-2-methylcyclobutyl]methyl]cyclopropanamine (CID 66424142) is N-[[1-(3,4-dichlorophenyl)-2-methylcyclobutyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[1-(3,4-dichlorophenyl)-2-methylcyclobutyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[1-(3,4-dichlorophenyl)-2-methylcyclobutyl]methyl]cyclopropanamine is CC1CCC1(CNC1CC1)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of N-[[1-(3,4-dichlorophenyl)-2-methylcyclobutyl]methyl]cyclopropanamine?
The InChIKey is SLFYSVLOSQVCLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19Cl2N/c1-10-6-7-15(10,9-18-12-3-4-12)11-2-5-13(16)14(17)8-11/h2,5,8,10,12,18H,3-4,6-7,9H2,1H3.
What are the key properties of N-[[1-(3,4-dichlorophenyl)-2-methylcyclobutyl]methyl]cyclopropanamine?
N-[[1-(3,4-dichlorophenyl)-2-methylcyclobutyl]methyl]cyclopropanamine has a molecular weight of 284.23 g/mol, XLogP of 4.41, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(3,4-dichlorophenyl)-2-methylcyclobutyl]methyl]cyclopropanamine is sourced from PubChem (CID 66424142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).