N-[[1-(2,4,6-trichlorophenyl)pyrrolidin-3-yl]methyl]cyclopropanamine

C14H17Cl3N2 — CID 55081291

IUPACN-[[1-(2,4,6-trichlorophenyl)pyrrolidin-3-yl]methyl]cyclopropanamine
SMILESClc1cc(Cl)c(N2CCC(CNC3CC3)C2)c(Cl)c1
InChIInChI=1S/C14H17Cl3N2/c15-10-5-12(16)14(13(17)6-10)19-4-3-9(8-19)7-18-11-1-2-11/h5-6,9,11,18H,1-4,7-8H2
InChIKeySBTDOWOQSDYIAW-UHFFFAOYSA-N
MW319.66 g/mol
LogP4.23
Rot. Bonds4

About N-[[1-(2,4,6-trichlorophenyl)pyrrolidin-3-yl]methyl]cyclopropanamine

N-[[1-(2,4,6-trichlorophenyl)pyrrolidin-3-yl]methyl]cyclopropanamine (PubChem CID 55081291) has the molecular formula C14H17Cl3N2 and a molecular weight of 319.66 g/mol. Its IUPAC name is N-[[1-(2,4,6-trichlorophenyl)pyrrolidin-3-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[1-(2,4,6-trichlorophenyl)pyrrolidin-3-yl]methyl]cyclopropanamine
PubChem CID55081291
Molecular FormulaC14H17Cl3N2
Molecular Weight319.66 g/mol
Exact Mass318.05
IUPAC NameN-[[1-(2,4,6-trichlorophenyl)pyrrolidin-3-yl]methyl]cyclopropanamine
SMILESClc1cc(Cl)c(N2CCC(CNC3CC3)C2)c(Cl)c1
InChIInChI=1S/C14H17Cl3N2/c15-10-5-12(16)14(13(17)6-10)19-4-3-9(8-19)7-18-11-1-2-11/h5-6,9,11,18H,1-4,7-8H2
InChIKeySBTDOWOQSDYIAW-UHFFFAOYSA-N
XLogP4.23
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.66
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(2,4,6-trichlorophenyl)pyrrolidin-3-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[1-(2,4,6-trichlorophenyl)pyrrolidin-3-yl]methyl]cyclopropanamine (CID 55081291) is N-[[1-(2,4,6-trichlorophenyl)pyrrolidin-3-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[1-(2,4,6-trichlorophenyl)pyrrolidin-3-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[1-(2,4,6-trichlorophenyl)pyrrolidin-3-yl]methyl]cyclopropanamine is Clc1cc(Cl)c(N2CCC(CNC3CC3)C2)c(Cl)c1.
What is the InChIKey of N-[[1-(2,4,6-trichlorophenyl)pyrrolidin-3-yl]methyl]cyclopropanamine?
The InChIKey is SBTDOWOQSDYIAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17Cl3N2/c15-10-5-12(16)14(13(17)6-10)19-4-3-9(8-19)7-18-11-1-2-11/h5-6,9,11,18H,1-4,7-8H2.
What are the key properties of N-[[1-(2,4,6-trichlorophenyl)pyrrolidin-3-yl]methyl]cyclopropanamine?
N-[[1-(2,4,6-trichlorophenyl)pyrrolidin-3-yl]methyl]cyclopropanamine has a molecular weight of 319.66 g/mol, XLogP of 4.23, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2,4,6-trichlorophenyl)pyrrolidin-3-yl]methyl]cyclopropanamine is sourced from PubChem (CID 55081291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).