1-[[5-(2,6-dichlorophenyl)-3-pyridinyl]oxymethyl]-N-methylcyclopropan-1-amine

C16H16Cl2N2O — CID 68527301

IUPAC1-[[5-(2,6-dichlorophenyl)-3-pyridinyl]oxymethyl]-N-methylcyclopropan-1-amine
SMILESCNC1(COc2cncc(-c3c(Cl)cccc3Cl)c2)CC1
InChIInChI=1S/C16H16Cl2N2O/c1-19-16(5-6-16)10-21-12-7-11(8-20-9-12)15-13(17)3-2-4-14(15)18/h2-4,7-9,19H,5-6,10H2,1H3
InChIKeyJKKSQJNLDGGARW-UHFFFAOYSA-N
MW323.22 g/mol
LogP4.19
Rot. Bonds5

About 1-[[5-(2,6-dichlorophenyl)-3-pyridinyl]oxymethyl]-N-methylcyclopropan-1-amine

1-[[5-(2,6-dichlorophenyl)-3-pyridinyl]oxymethyl]-N-methylcyclopropan-1-amine (PubChem CID 68527301) 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]-N-methylcyclopropan-1-amine.

Molecular Properties

Compound Name1-[[5-(2,6-dichlorophenyl)-3-pyridinyl]oxymethyl]-N-methylcyclopropan-1-amine
PubChem CID68527301
Molecular FormulaC16H16Cl2N2O
Molecular Weight323.22 g/mol
Exact Mass322.06
IUPAC Name1-[[5-(2,6-dichlorophenyl)-3-pyridinyl]oxymethyl]-N-methylcyclopropan-1-amine
SMILESCNC1(COc2cncc(-c3c(Cl)cccc3Cl)c2)CC1
InChIInChI=1S/C16H16Cl2N2O/c1-19-16(5-6-16)10-21-12-7-11(8-20-9-12)15-13(17)3-2-4-14(15)18/h2-4,7-9,19H,5-6,10H2,1H3
InChIKeyJKKSQJNLDGGARW-UHFFFAOYSA-N
XLogP4.19
TPSA34.15 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 ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-[[5-(2,6-dichlorophenyl)-3-pyridinyl]oxymethyl]cyclopropyl]methanamine
CID 68527294
1-[[5-(4-methoxyphenyl)-3-pyridinyl]oxymethyl]-N-methylcyclopropan-1-amine;dihydrochloride
CID 68528703
3-[5-[[1-(methylamino)cyclopropyl]methoxy]-3-pyridinyl]benzoic acid;dihydrochloride
CID 68782480
N-methyl-1-[[5-(3,4,5-trimethoxyphenyl)-3-pyridinyl]oxymethyl]cyclopropan-1-amine
CID 68530219
1-[(6-chloro-5-pyridin-4-yl-3-pyridinyl)oxymethyl]-N-methylcyclopropan-1-amine
CID 87485485
1-[[5-(4-chlorophenyl)-6-fluoro-3-pyridinyl]oxymethyl]-N-methylcyclopropan-1-amine
CID 68780700
N-[2-chloro-4-[2-chloro-5-[[1-(methylamino)cyclopropyl]methoxy]-3-pyridinyl]phenyl]acetamide
CID 142785716
4-[2-fluoro-5-[[1-(methylamino)cyclopropyl]methoxy]-3-pyridinyl]aniline
CID 68781109
4-[2-fluoro-5-[[1-(methylamino)cyclopropyl]methoxy]-3-pyridinyl]aniline;dihydrochloride
CID 68781108
CID 87501562
CID 87501562
[1-[1-[[5-(3-chlorophenyl)-3-pyridinyl]oxymethyl]cyclopropyl]-2,2-dimethylpropyl]carbamic acid
CID 68780930
3-[5-[[1-(aminomethyl)cyclopropyl]methoxy]-3-pyridinyl]aniline;trihydrochloride
CID 68779485

Frequently Asked Questions

What is the IUPAC name of 1-[[5-(2,6-dichlorophenyl)-3-pyridinyl]oxymethyl]-N-methylcyclopropan-1-amine?
The IUPAC name of 1-[[5-(2,6-dichlorophenyl)-3-pyridinyl]oxymethyl]-N-methylcyclopropan-1-amine (CID 68527301) is 1-[[5-(2,6-dichlorophenyl)-3-pyridinyl]oxymethyl]-N-methylcyclopropan-1-amine.
What is the SMILES notation for 1-[[5-(2,6-dichlorophenyl)-3-pyridinyl]oxymethyl]-N-methylcyclopropan-1-amine?
The canonical SMILES for 1-[[5-(2,6-dichlorophenyl)-3-pyridinyl]oxymethyl]-N-methylcyclopropan-1-amine is CNC1(COc2cncc(-c3c(Cl)cccc3Cl)c2)CC1.
What is the InChIKey of 1-[[5-(2,6-dichlorophenyl)-3-pyridinyl]oxymethyl]-N-methylcyclopropan-1-amine?
The InChIKey is JKKSQJNLDGGARW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16Cl2N2O/c1-19-16(5-6-16)10-21-12-7-11(8-20-9-12)15-13(17)3-2-4-14(15)18/h2-4,7-9,19H,5-6,10H2,1H3.
What are the key properties of 1-[[5-(2,6-dichlorophenyl)-3-pyridinyl]oxymethyl]-N-methylcyclopropan-1-amine?
1-[[5-(2,6-dichlorophenyl)-3-pyridinyl]oxymethyl]-N-methylcyclopropan-1-amine has a molecular weight of 323.22 g/mol, XLogP of 4.19, 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]-N-methylcyclopropan-1-amine is sourced from PubChem (CID 68527301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).