N-[2-[(5-chloro-2-pyridinyl)oxy]ethyl]-2,2-dimethylpropan-1-amine

C12H19ClN2O — CID 115697912

IUPACN-[2-[(5-chloro-2-pyridinyl)oxy]ethyl]-2,2-dimethylpropan-1-amine
SMILESCC(C)(C)CNCCOc1ccc(Cl)cn1
InChIInChI=1S/C12H19ClN2O/c1-12(2,3)9-14-6-7-16-11-5-4-10(13)8-15-11/h4-5,8,14H,6-7,9H2,1-3H3
InChIKeyPBQCHKUXHWONBM-UHFFFAOYSA-N
MW242.75 g/mol
LogP2.75
Rot. Bonds5

About N-[2-[(5-chloro-2-pyridinyl)oxy]ethyl]-2,2-dimethylpropan-1-amine

N-[2-[(5-chloro-2-pyridinyl)oxy]ethyl]-2,2-dimethylpropan-1-amine (PubChem CID 115697912) has the molecular formula C12H19ClN2O and a molecular weight of 242.75 g/mol. Its IUPAC name is N-[2-[(5-chloro-2-pyridinyl)oxy]ethyl]-2,2-dimethylpropan-1-amine.

Molecular Properties

Compound NameN-[2-[(5-chloro-2-pyridinyl)oxy]ethyl]-2,2-dimethylpropan-1-amine
PubChem CID115697912
Molecular FormulaC12H19ClN2O
Molecular Weight242.75 g/mol
Exact Mass242.12
IUPAC NameN-[2-[(5-chloro-2-pyridinyl)oxy]ethyl]-2,2-dimethylpropan-1-amine
SMILESCC(C)(C)CNCCOc1ccc(Cl)cn1
InChIInChI=1S/C12H19ClN2O/c1-12(2,3)9-14-6-7-16-11-5-4-10(13)8-15-11/h4-5,8,14H,6-7,9H2,1-3H3
InChIKeyPBQCHKUXHWONBM-UHFFFAOYSA-N
XLogP2.75
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.75
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Tebanicline
CID 3075702
5-((S)-1-Azetidin-2-ylmethoxy)-2-chloro-pyridine
CID 9815575
5-[(2S)-2-aminopropoxy]-2-chloro-3-[(E)-2-(pyridin-4-yl)ethenyl]pyridine
CID 10062782
N-methyl-2-(pyridin-3-yloxy)ethanamine
CID 9793858
(2R)-1-[(6-chloro-5-methyl-3-pyridinyl)oxy]propan-2-amine
CID 9899128
(2R)-1-[(6-chloro-5-methyl-3-pyridinyl)oxy]-N-methylpropan-2-amine
CID 9964465
2-Chloro-5-((S)-1-methyl-pyrrolidin-2-ylmethoxy)-pyridine
CID 10263121
3-[[(2S)-azetidin-2-yl]methoxy]-2-chloropyridine
CID 10488208
2-Chloro-5-((R)-1-pyrrolidin-2-ylmethoxy)-pyridine
CID 10512747
2-Chloro-5-((S)-1-pyrrolidin-2-ylmethoxy)-pyridine
CID 10589238
3-((S)-1-Azetidin-2-ylmethoxy)-5-chloro-pyridine
CID 10821840
(2S)-1-[(6-chloro-5-methyl-3-pyridinyl)oxy]propan-2-amine
CID 12112025

Frequently Asked Questions

What is the IUPAC name of N-[2-[(5-chloro-2-pyridinyl)oxy]ethyl]-2,2-dimethylpropan-1-amine?
The IUPAC name of N-[2-[(5-chloro-2-pyridinyl)oxy]ethyl]-2,2-dimethylpropan-1-amine (CID 115697912) is N-[2-[(5-chloro-2-pyridinyl)oxy]ethyl]-2,2-dimethylpropan-1-amine.
What is the SMILES notation for N-[2-[(5-chloro-2-pyridinyl)oxy]ethyl]-2,2-dimethylpropan-1-amine?
The canonical SMILES for N-[2-[(5-chloro-2-pyridinyl)oxy]ethyl]-2,2-dimethylpropan-1-amine is CC(C)(C)CNCCOc1ccc(Cl)cn1.
What is the InChIKey of N-[2-[(5-chloro-2-pyridinyl)oxy]ethyl]-2,2-dimethylpropan-1-amine?
The InChIKey is PBQCHKUXHWONBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19ClN2O/c1-12(2,3)9-14-6-7-16-11-5-4-10(13)8-15-11/h4-5,8,14H,6-7,9H2,1-3H3.
What are the key properties of N-[2-[(5-chloro-2-pyridinyl)oxy]ethyl]-2,2-dimethylpropan-1-amine?
N-[2-[(5-chloro-2-pyridinyl)oxy]ethyl]-2,2-dimethylpropan-1-amine has a molecular weight of 242.75 g/mol, XLogP of 2.75, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(5-chloro-2-pyridinyl)oxy]ethyl]-2,2-dimethylpropan-1-amine is sourced from PubChem (CID 115697912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).