[1-[[5-(2,6-dichlorophenyl)-3-pyridinyl]oxymethyl]cyclopropyl]methanamine

C16H16Cl2N2O — CID 68527294

IUPAC[1-[[5-(2,6-dichlorophenyl)-3-pyridinyl]oxymethyl]cyclopropyl]methanamine
SMILESNCC1(COc2cncc(-c3c(Cl)cccc3Cl)c2)CC1
InChIInChI=1S/C16H16Cl2N2O/c17-13-2-1-3-14(18)15(13)11-6-12(8-20-7-11)21-10-16(9-19)4-5-16/h1-3,6-8H,4-5,9-10,19H2
InChIKeyXQSHADFZKXIIMG-UHFFFAOYSA-N
MW323.22 g/mol
LogP4.17
Rot. Bonds5

About [1-[[5-(2,6-dichlorophenyl)-3-pyridinyl]oxymethyl]cyclopropyl]methanamine

[1-[[5-(2,6-dichlorophenyl)-3-pyridinyl]oxymethyl]cyclopropyl]methanamine (PubChem CID 68527294) has the molecular formula C16H16Cl2N2O and a molecular weight of 323.22 g/mol. Its IUPAC name is [1-[[5-(2,6-dichlorophenyl)-3-pyridinyl]oxymethyl]cyclopropyl]methanamine.

Molecular Properties

Compound Name[1-[[5-(2,6-dichlorophenyl)-3-pyridinyl]oxymethyl]cyclopropyl]methanamine
PubChem CID68527294
Molecular FormulaC16H16Cl2N2O
Molecular Weight323.22 g/mol
Exact Mass322.06
IUPAC Name[1-[[5-(2,6-dichlorophenyl)-3-pyridinyl]oxymethyl]cyclopropyl]methanamine
SMILESNCC1(COc2cncc(-c3c(Cl)cccc3Cl)c2)CC1
InChIInChI=1S/C16H16Cl2N2O/c17-13-2-1-3-14(18)15(13)11-6-12(8-20-7-11)21-10-16(9-19)4-5-16/h1-3,6-8H,4-5,9-10,19H2
InChIKeyXQSHADFZKXIIMG-UHFFFAOYSA-N
XLogP4.17
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.22
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1-[[5-(2,6-dichlorophenyl)-3-pyridinyl]oxymethyl]cyclopropyl]methanamine?
The IUPAC name of [1-[[5-(2,6-dichlorophenyl)-3-pyridinyl]oxymethyl]cyclopropyl]methanamine (CID 68527294) is [1-[[5-(2,6-dichlorophenyl)-3-pyridinyl]oxymethyl]cyclopropyl]methanamine.
What is the SMILES notation for [1-[[5-(2,6-dichlorophenyl)-3-pyridinyl]oxymethyl]cyclopropyl]methanamine?
The canonical SMILES for [1-[[5-(2,6-dichlorophenyl)-3-pyridinyl]oxymethyl]cyclopropyl]methanamine is NCC1(COc2cncc(-c3c(Cl)cccc3Cl)c2)CC1.
What is the InChIKey of [1-[[5-(2,6-dichlorophenyl)-3-pyridinyl]oxymethyl]cyclopropyl]methanamine?
The InChIKey is XQSHADFZKXIIMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16Cl2N2O/c17-13-2-1-3-14(18)15(13)11-6-12(8-20-7-11)21-10-16(9-19)4-5-16/h1-3,6-8H,4-5,9-10,19H2.
What are the key properties of [1-[[5-(2,6-dichlorophenyl)-3-pyridinyl]oxymethyl]cyclopropyl]methanamine?
[1-[[5-(2,6-dichlorophenyl)-3-pyridinyl]oxymethyl]cyclopropyl]methanamine has a molecular weight of 323.22 g/mol, XLogP of 4.17, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[5-(2,6-dichlorophenyl)-3-pyridinyl]oxymethyl]cyclopropyl]methanamine is sourced from PubChem (CID 68527294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).