N-[2-[[5-chloro-4-(chloromethyl)-2-pyridinyl]oxy]ethyl]-N-propan-2-ylpropan-2-amine

C14H22Cl2N2O — CID 114921341

IUPACN-[2-[[5-chloro-4-(chloromethyl)-2-pyridinyl]oxy]ethyl]-N-propan-2-ylpropan-2-amine
SMILESCC(C)N(CCOc1cc(CCl)c(Cl)cn1)C(C)C
InChIInChI=1S/C14H22Cl2N2O/c1-10(2)18(11(3)4)5-6-19-14-7-12(8-15)13(16)9-17-14/h7,9-11H,5-6,8H2,1-4H3
InChIKeyTYKBTLSKXPPQTH-UHFFFAOYSA-N
MW305.25 g/mol
LogP3.97
Rot. Bonds7

About N-[2-[[5-chloro-4-(chloromethyl)-2-pyridinyl]oxy]ethyl]-N-propan-2-ylpropan-2-amine

N-[2-[[5-chloro-4-(chloromethyl)-2-pyridinyl]oxy]ethyl]-N-propan-2-ylpropan-2-amine (PubChem CID 114921341) has the molecular formula C14H22Cl2N2O and a molecular weight of 305.25 g/mol. Its IUPAC name is N-[2-[[5-chloro-4-(chloromethyl)-2-pyridinyl]oxy]ethyl]-N-propan-2-ylpropan-2-amine.

Molecular Properties

Compound NameN-[2-[[5-chloro-4-(chloromethyl)-2-pyridinyl]oxy]ethyl]-N-propan-2-ylpropan-2-amine
PubChem CID114921341
Molecular FormulaC14H22Cl2N2O
Molecular Weight305.25 g/mol
Exact Mass304.11
IUPAC NameN-[2-[[5-chloro-4-(chloromethyl)-2-pyridinyl]oxy]ethyl]-N-propan-2-ylpropan-2-amine
SMILESCC(C)N(CCOc1cc(CCl)c(Cl)cn1)C(C)C
InChIInChI=1S/C14H22Cl2N2O/c1-10(2)18(11(3)4)5-6-19-14-7-12(8-15)13(16)9-17-14/h7,9-11H,5-6,8H2,1-4H3
InChIKeyTYKBTLSKXPPQTH-UHFFFAOYSA-N
XLogP3.97
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.25
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

5-chloro-4-(chloromethyl)-2-(2-propan-2-yloxyethoxy)pyridine
CID 114921190
2-butoxy-5-chloro-4-(chloromethyl)pyridine
CID 114921209
5-chloro-4-(chloromethyl)-2-(2-phenoxyethoxy)pyridine
CID 114921193
N-[2-[(5-bromo-3-chloro-2-pyridinyl)oxy]ethyl]-N-propan-2-ylpropan-2-amine
CID 103583744
N-[2-(6-chloropyridazin-3-yl)oxyethyl]-N-propan-2-ylpropan-2-amine
CID 115505459
N-[(2-butoxy-5-chloro-4-pyridinyl)methyl]propan-2-amine
CID 114927879
5-chloro-4-(chloromethyl)-N-(2-methylpropyl)-N-propan-2-ylpyridin-2-amine
CID 114920954
N-[2-[(2-chloro-5-methyl-4-pyridinyl)oxy]ethyl]-N-propan-2-ylpropan-2-amine
CID 83268152
5-[2-[di(propan-2-yl)amino]ethoxy]pyrazine-2-carbonitrile
CID 115505498
5-chloro-6-[2-[di(propan-2-yl)amino]ethoxy]pyridine-3-carboxylic acid
CID 115505424
N-[[5-chloro-2-(3-methylbutoxy)-4-pyridinyl]methyl]-2-methylpropan-1-amine
CID 114927694
N-[[5-chloro-2-(3-methylbutoxy)-4-pyridinyl]methyl]-2-methylpropan-2-amine
CID 114927691

Frequently Asked Questions

What is the IUPAC name of N-[2-[[5-chloro-4-(chloromethyl)-2-pyridinyl]oxy]ethyl]-N-propan-2-ylpropan-2-amine?
The IUPAC name of N-[2-[[5-chloro-4-(chloromethyl)-2-pyridinyl]oxy]ethyl]-N-propan-2-ylpropan-2-amine (CID 114921341) is N-[2-[[5-chloro-4-(chloromethyl)-2-pyridinyl]oxy]ethyl]-N-propan-2-ylpropan-2-amine.
What is the SMILES notation for N-[2-[[5-chloro-4-(chloromethyl)-2-pyridinyl]oxy]ethyl]-N-propan-2-ylpropan-2-amine?
The canonical SMILES for N-[2-[[5-chloro-4-(chloromethyl)-2-pyridinyl]oxy]ethyl]-N-propan-2-ylpropan-2-amine is CC(C)N(CCOc1cc(CCl)c(Cl)cn1)C(C)C.
What is the InChIKey of N-[2-[[5-chloro-4-(chloromethyl)-2-pyridinyl]oxy]ethyl]-N-propan-2-ylpropan-2-amine?
The InChIKey is TYKBTLSKXPPQTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22Cl2N2O/c1-10(2)18(11(3)4)5-6-19-14-7-12(8-15)13(16)9-17-14/h7,9-11H,5-6,8H2,1-4H3.
What are the key properties of N-[2-[[5-chloro-4-(chloromethyl)-2-pyridinyl]oxy]ethyl]-N-propan-2-ylpropan-2-amine?
N-[2-[[5-chloro-4-(chloromethyl)-2-pyridinyl]oxy]ethyl]-N-propan-2-ylpropan-2-amine has a molecular weight of 305.25 g/mol, XLogP of 3.97, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[5-chloro-4-(chloromethyl)-2-pyridinyl]oxy]ethyl]-N-propan-2-ylpropan-2-amine is sourced from PubChem (CID 114921341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).