2-[2-chloro-5-[3-(2-methylphenyl)-2-pyridinyl]phenoxy]-N,N-diethylethanamine

C24H27ClN2O — CID 141199159

IUPAC2-[2-chloro-5-[3-(2-methylphenyl)-2-pyridinyl]phenoxy]-N,N-diethylethanamine
SMILESCCN(CC)CCOc1cc(-c2ncccc2-c2ccccc2C)ccc1Cl
InChIInChI=1S/C24H27ClN2O/c1-4-27(5-2)15-16-28-23-17-19(12-13-22(23)25)24-21(11-8-14-26-24)20-10-7-6-9-18(20)3/h6-14,17H,4-5,15-16H2,1-3H3
InChIKeyPAQKCFUVGDAJMG-UHFFFAOYSA-N
MW394.95 g/mol
LogP6.10
Rot. Bonds8

About 2-[2-chloro-5-[3-(2-methylphenyl)-2-pyridinyl]phenoxy]-N,N-diethylethanamine

2-[2-chloro-5-[3-(2-methylphenyl)-2-pyridinyl]phenoxy]-N,N-diethylethanamine (PubChem CID 141199159) has the molecular formula C24H27ClN2O and a molecular weight of 394.95 g/mol. Its IUPAC name is 2-[2-chloro-5-[3-(2-methylphenyl)-2-pyridinyl]phenoxy]-N,N-diethylethanamine.

Molecular Properties

Compound Name2-[2-chloro-5-[3-(2-methylphenyl)-2-pyridinyl]phenoxy]-N,N-diethylethanamine
PubChem CID141199159
Molecular FormulaC24H27ClN2O
Molecular Weight394.95 g/mol
Exact Mass394.18
IUPAC Name2-[2-chloro-5-[3-(2-methylphenyl)-2-pyridinyl]phenoxy]-N,N-diethylethanamine
SMILESCCN(CC)CCOc1cc(-c2ncccc2-c2ccccc2C)ccc1Cl
InChIInChI=1S/C24H27ClN2O/c1-4-27(5-2)15-16-28-23-17-19(12-13-22(23)25)24-21(11-8-14-26-24)20-10-7-6-9-18(20)3/h6-14,17H,4-5,15-16H2,1-3H3
InChIKeyPAQKCFUVGDAJMG-UHFFFAOYSA-N
XLogP6.10
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.95
LogP ≤ 56.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2-chloro-5-[3-(2-methylphenyl)-2-pyridinyl]phenoxy]-N,N-diethylethanamine?
The IUPAC name of 2-[2-chloro-5-[3-(2-methylphenyl)-2-pyridinyl]phenoxy]-N,N-diethylethanamine (CID 141199159) is 2-[2-chloro-5-[3-(2-methylphenyl)-2-pyridinyl]phenoxy]-N,N-diethylethanamine.
What is the SMILES notation for 2-[2-chloro-5-[3-(2-methylphenyl)-2-pyridinyl]phenoxy]-N,N-diethylethanamine?
The canonical SMILES for 2-[2-chloro-5-[3-(2-methylphenyl)-2-pyridinyl]phenoxy]-N,N-diethylethanamine is CCN(CC)CCOc1cc(-c2ncccc2-c2ccccc2C)ccc1Cl.
What is the InChIKey of 2-[2-chloro-5-[3-(2-methylphenyl)-2-pyridinyl]phenoxy]-N,N-diethylethanamine?
The InChIKey is PAQKCFUVGDAJMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27ClN2O/c1-4-27(5-2)15-16-28-23-17-19(12-13-22(23)25)24-21(11-8-14-26-24)20-10-7-6-9-18(20)3/h6-14,17H,4-5,15-16H2,1-3H3.
What are the key properties of 2-[2-chloro-5-[3-(2-methylphenyl)-2-pyridinyl]phenoxy]-N,N-diethylethanamine?
2-[2-chloro-5-[3-(2-methylphenyl)-2-pyridinyl]phenoxy]-N,N-diethylethanamine has a molecular weight of 394.95 g/mol, XLogP of 6.10, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-chloro-5-[3-(2-methylphenyl)-2-pyridinyl]phenoxy]-N,N-diethylethanamine is sourced from PubChem (CID 141199159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).