N-[[1-[(2,5-dichlorophenyl)methyl]pyrrolidin-2-yl]methyl]cyclopropanamine

C15H20Cl2N2 — CID 65317442

IUPACN-[[1-[(2,5-dichlorophenyl)methyl]pyrrolidin-2-yl]methyl]cyclopropanamine
SMILESClc1ccc(Cl)c(CN2CCCC2CNC2CC2)c1
InChIInChI=1S/C15H20Cl2N2/c16-12-3-6-15(17)11(8-12)10-19-7-1-2-14(19)9-18-13-4-5-13/h3,6,8,13-14,18H,1-2,4-5,7,9-10H2
InChIKeyMCIGTXWBZYWXSH-UHFFFAOYSA-N
MW299.24 g/mol
LogP3.71
Rot. Bonds5

About N-[[1-[(2,5-dichlorophenyl)methyl]pyrrolidin-2-yl]methyl]cyclopropanamine

N-[[1-[(2,5-dichlorophenyl)methyl]pyrrolidin-2-yl]methyl]cyclopropanamine (PubChem CID 65317442) has the molecular formula C15H20Cl2N2 and a molecular weight of 299.24 g/mol. Its IUPAC name is N-[[1-[(2,5-dichlorophenyl)methyl]pyrrolidin-2-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[1-[(2,5-dichlorophenyl)methyl]pyrrolidin-2-yl]methyl]cyclopropanamine
PubChem CID65317442
Molecular FormulaC15H20Cl2N2
Molecular Weight299.24 g/mol
Exact Mass298.10
IUPAC NameN-[[1-[(2,5-dichlorophenyl)methyl]pyrrolidin-2-yl]methyl]cyclopropanamine
SMILESClc1ccc(Cl)c(CN2CCCC2CNC2CC2)c1
InChIInChI=1S/C15H20Cl2N2/c16-12-3-6-15(17)11(8-12)10-19-7-1-2-14(19)9-18-13-4-5-13/h3,6,8,13-14,18H,1-2,4-5,7,9-10H2
InChIKeyMCIGTXWBZYWXSH-UHFFFAOYSA-N
XLogP3.71
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.24
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[1-[(5-chloro-2-methoxyphenyl)methyl]pyrrolidin-2-yl]methyl]cyclopropanamine
CID 62581996
N-[[1-[(2,5-dichlorophenyl)methyl]pyrrolidin-2-yl]methyl]propan-2-amine
CID 65317396
2-(chloromethyl)-1-[(2,5-dichlorophenyl)methyl]pyrrolidine
CID 65318647
1-[1-[(2,5-dichlorophenyl)methyl]piperidin-2-yl]-N-methylmethanamine
CID 65318364
N-[[1-[(2-chlorophenyl)methyl]piperidin-2-yl]methyl]cyclopropanamine
CID 62579866
[1-[(2,5-dichlorophenyl)methyl]pyrrolidin-2-yl]methanol
CID 65321311
N-[[1-[(2,5-dichlorophenyl)methyl]piperidin-2-yl]methyl]propan-1-amine
CID 65318410
N-[[1-[(5-bromo-2-fluorophenyl)methyl]pyrrolidin-2-yl]methyl]cyclopropanamine
CID 62581260
[(2S)-1-[(2,5-dichlorophenyl)methyl]piperidin-2-yl]methanamine
CID 86329767
[(2R)-1-[(2,5-dichlorophenyl)methyl]piperidin-2-yl]methanol
CID 86329631
N-[[1-[(2,3-dichlorophenyl)methyl]piperidin-2-yl]methyl]cyclopropanamine
CID 107306708
3-[1-[(2,5-dichlorophenyl)methyl]pyrrolidin-2-yl]propan-1-ol
CID 65321407

Frequently Asked Questions

What is the IUPAC name of N-[[1-[(2,5-dichlorophenyl)methyl]pyrrolidin-2-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[1-[(2,5-dichlorophenyl)methyl]pyrrolidin-2-yl]methyl]cyclopropanamine (CID 65317442) is N-[[1-[(2,5-dichlorophenyl)methyl]pyrrolidin-2-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[1-[(2,5-dichlorophenyl)methyl]pyrrolidin-2-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[1-[(2,5-dichlorophenyl)methyl]pyrrolidin-2-yl]methyl]cyclopropanamine is Clc1ccc(Cl)c(CN2CCCC2CNC2CC2)c1.
What is the InChIKey of N-[[1-[(2,5-dichlorophenyl)methyl]pyrrolidin-2-yl]methyl]cyclopropanamine?
The InChIKey is MCIGTXWBZYWXSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20Cl2N2/c16-12-3-6-15(17)11(8-12)10-19-7-1-2-14(19)9-18-13-4-5-13/h3,6,8,13-14,18H,1-2,4-5,7,9-10H2.
What are the key properties of N-[[1-[(2,5-dichlorophenyl)methyl]pyrrolidin-2-yl]methyl]cyclopropanamine?
N-[[1-[(2,5-dichlorophenyl)methyl]pyrrolidin-2-yl]methyl]cyclopropanamine has a molecular weight of 299.24 g/mol, XLogP of 3.71, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(2,5-dichlorophenyl)methyl]pyrrolidin-2-yl]methyl]cyclopropanamine is sourced from PubChem (CID 65317442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).