N-[2-(2-chlorophenoxy)ethyl]-N-methyl-2-pyridin-4-ylethanamine

C16H19ClN2O — CID 75402095

IUPACN-[2-(2-chlorophenoxy)ethyl]-N-methyl-2-pyridin-4-ylethanamine
SMILESCN(CCOc1ccccc1Cl)CCc1ccncc1
InChIInChI=1S/C16H19ClN2O/c1-19(11-8-14-6-9-18-10-7-14)12-13-20-16-5-3-2-4-15(16)17/h2-7,9-10H,8,11-13H2,1H3
InChIKeySQLWAXVGFSQCTR-UHFFFAOYSA-N
MW290.79 g/mol
LogP3.29
Rot. Bonds7

About N-[2-(2-chlorophenoxy)ethyl]-N-methyl-2-pyridin-4-ylethanamine

N-[2-(2-chlorophenoxy)ethyl]-N-methyl-2-pyridin-4-ylethanamine (PubChem CID 75402095) has the molecular formula C16H19ClN2O and a molecular weight of 290.79 g/mol. Its IUPAC name is N-[2-(2-chlorophenoxy)ethyl]-N-methyl-2-pyridin-4-ylethanamine.

Molecular Properties

Compound NameN-[2-(2-chlorophenoxy)ethyl]-N-methyl-2-pyridin-4-ylethanamine
PubChem CID75402095
Molecular FormulaC16H19ClN2O
Molecular Weight290.79 g/mol
Exact Mass290.12
IUPAC NameN-[2-(2-chlorophenoxy)ethyl]-N-methyl-2-pyridin-4-ylethanamine
SMILESCN(CCOc1ccccc1Cl)CCc1ccncc1
InChIInChI=1S/C16H19ClN2O/c1-19(11-8-14-6-9-18-10-7-14)12-13-20-16-5-3-2-4-15(16)17/h2-7,9-10H,8,11-13H2,1H3
InChIKeySQLWAXVGFSQCTR-UHFFFAOYSA-N
XLogP3.29
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.79
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-N-methyl-N-(2-pyridin-4-ylethyl)propan-1-amine
CID 61286728
1-[2-[2-[methyl(pyridin-4-ylmethyl)amino]ethoxy]phenyl]ethanone
CID 62052597
N-methyl-2-phenyl-N-(pyridin-4-ylmethyl)ethanamine
CID 3817841
N-benzyl-N-methyl-2-pyridin-4-ylethanamine
CID 78793254
N-(2-bromoethyl)-N-methyl-2-pyridin-4-ylethanamine
CID 61286935
[2-chloro-6-(2-pyridin-4-ylethoxy)phenyl]methanol
CID 114320498
5-[[2-(2-chlorophenoxy)ethyl-methylamino]methyl]-1,3-thiazol-2-amine;hydrochloride
CID 120897808
2-(2-methoxyethoxy)-N-methyl-N-(2-pyridin-4-ylethyl)benzamide
CID 51101796
2,3-dichloro-N-methyl-N-(2-pyridin-4-ylethyl)aniline
CID 110454690
2-chloro-6-(2-pyridin-4-ylethoxy)benzonitrile
CID 114322554
1-[2-chloro-6-(2-pyridin-4-ylethoxy)phenyl]propan-2-amine
CID 114321819
N-[2-(2-chlorophenoxy)ethyl]-N,1-dimethylpiperidin-4-amine;ethane
CID 144963079

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-chlorophenoxy)ethyl]-N-methyl-2-pyridin-4-ylethanamine?
The IUPAC name of N-[2-(2-chlorophenoxy)ethyl]-N-methyl-2-pyridin-4-ylethanamine (CID 75402095) is N-[2-(2-chlorophenoxy)ethyl]-N-methyl-2-pyridin-4-ylethanamine.
What is the SMILES notation for N-[2-(2-chlorophenoxy)ethyl]-N-methyl-2-pyridin-4-ylethanamine?
The canonical SMILES for N-[2-(2-chlorophenoxy)ethyl]-N-methyl-2-pyridin-4-ylethanamine is CN(CCOc1ccccc1Cl)CCc1ccncc1.
What is the InChIKey of N-[2-(2-chlorophenoxy)ethyl]-N-methyl-2-pyridin-4-ylethanamine?
The InChIKey is SQLWAXVGFSQCTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN2O/c1-19(11-8-14-6-9-18-10-7-14)12-13-20-16-5-3-2-4-15(16)17/h2-7,9-10H,8,11-13H2,1H3.
What are the key properties of N-[2-(2-chlorophenoxy)ethyl]-N-methyl-2-pyridin-4-ylethanamine?
N-[2-(2-chlorophenoxy)ethyl]-N-methyl-2-pyridin-4-ylethanamine has a molecular weight of 290.79 g/mol, XLogP of 3.29, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-chlorophenoxy)ethyl]-N-methyl-2-pyridin-4-ylethanamine is sourced from PubChem (CID 75402095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).