N-[2-(3-chlorophenoxy)ethyl]-N-methyl-2-pyridin-3-ylethanamine

C16H19ClN2O — CID 75421045

IUPACN-[2-(3-chlorophenoxy)ethyl]-N-methyl-2-pyridin-3-ylethanamine
SMILESCN(CCOc1cccc(Cl)c1)CCc1cccnc1
InChIInChI=1S/C16H19ClN2O/c1-19(9-7-14-4-3-8-18-13-14)10-11-20-16-6-2-5-15(17)12-16/h2-6,8,12-13H,7,9-11H2,1H3
InChIKeyDWPARIIRZKYVNS-UHFFFAOYSA-N
MW290.79 g/mol
LogP3.29
Rot. Bonds7

About N-[2-(3-chlorophenoxy)ethyl]-N-methyl-2-pyridin-3-ylethanamine

N-[2-(3-chlorophenoxy)ethyl]-N-methyl-2-pyridin-3-ylethanamine (PubChem CID 75421045) has the molecular formula C16H19ClN2O and a molecular weight of 290.79 g/mol. Its IUPAC name is N-[2-(3-chlorophenoxy)ethyl]-N-methyl-2-pyridin-3-ylethanamine.

Molecular Properties

Compound NameN-[2-(3-chlorophenoxy)ethyl]-N-methyl-2-pyridin-3-ylethanamine
PubChem CID75421045
Molecular FormulaC16H19ClN2O
Molecular Weight290.79 g/mol
Exact Mass290.12
IUPAC NameN-[2-(3-chlorophenoxy)ethyl]-N-methyl-2-pyridin-3-ylethanamine
SMILESCN(CCOc1cccc(Cl)c1)CCc1cccnc1
InChIInChI=1S/C16H19ClN2O/c1-19(9-7-14-4-3-8-18-13-14)10-11-20-16-6-2-5-15(17)12-16/h2-6,8,12-13H,7,9-11H2,1H3
InChIKeyDWPARIIRZKYVNS-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

2-(3-chlorophenoxy)-N-[(6-chloro-3-pyridinyl)methyl]-N-methylethanamine
CID 55537534
2-(3-chlorophenoxy)-N-methyl-N-[(2-propan-2-ylpyrimidin-5-yl)methyl]ethanamine
CID 131891193
3-[2-[methyl(pyridin-3-ylmethyl)amino]ethoxy]benzonitrile
CID 43563424
N-methyl-N-(2-pyridin-3-yloxyethyl)propan-1-amine
CID 10821654
3-[2-[(3-chlorophenyl)methyl-methylamino]ethoxy]aniline
CID 61413705
2-(3-chlorophenoxy)-N-methyl-N-[(1-propan-2-ylpyrazol-4-yl)methyl]ethanamine
CID 131934164
methyl 4-[2-(3-chlorophenoxy)ethyl-methylamino]butanoate
CID 62011529
N'-(2-methoxyethyl)-N'-methyl-N-(2-pyridin-3-ylethyl)ethane-1,2-diamine
CID 63264515
4-[3-(3-chlorophenoxy)propyl-methylamino]butanoic acid
CID 119134826
4-[2-[methyl(pyridin-3-ylmethyl)amino]ethoxy]benzoic acid
CID 43563550
1-N,4-dimethyl-1-N-(2-pyridin-3-ylethyl)pentane-1,3-diamine
CID 81490426
4-[2-[methyl(pyridin-3-ylmethyl)amino]ethoxy]benzenecarbothioamide
CID 43563444

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-chlorophenoxy)ethyl]-N-methyl-2-pyridin-3-ylethanamine?
The IUPAC name of N-[2-(3-chlorophenoxy)ethyl]-N-methyl-2-pyridin-3-ylethanamine (CID 75421045) is N-[2-(3-chlorophenoxy)ethyl]-N-methyl-2-pyridin-3-ylethanamine.
What is the SMILES notation for N-[2-(3-chlorophenoxy)ethyl]-N-methyl-2-pyridin-3-ylethanamine?
The canonical SMILES for N-[2-(3-chlorophenoxy)ethyl]-N-methyl-2-pyridin-3-ylethanamine is CN(CCOc1cccc(Cl)c1)CCc1cccnc1.
What is the InChIKey of N-[2-(3-chlorophenoxy)ethyl]-N-methyl-2-pyridin-3-ylethanamine?
The InChIKey is DWPARIIRZKYVNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN2O/c1-19(9-7-14-4-3-8-18-13-14)10-11-20-16-6-2-5-15(17)12-16/h2-6,8,12-13H,7,9-11H2,1H3.
What are the key properties of N-[2-(3-chlorophenoxy)ethyl]-N-methyl-2-pyridin-3-ylethanamine?
N-[2-(3-chlorophenoxy)ethyl]-N-methyl-2-pyridin-3-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-(3-chlorophenoxy)ethyl]-N-methyl-2-pyridin-3-ylethanamine is sourced from PubChem (CID 75421045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).