N,N-diethyl-2-(2-phenyl-1-pyridin-4-ylethoxy)ethanamine;dihydrochloride

C19H28Cl2N2O — CID 3024448

IUPACN,N-diethyl-2-(2-phenyl-1-pyridin-4-ylethoxy)ethanamine;dihydrochloride
SMILESCCN(CC)CCOC(Cc1ccccc1)c1ccncc1.Cl.Cl
InChIInChI=1S/C19H26N2O.2ClH/c1-3-21(4-2)14-15-22-19(18-10-12-20-13-11-18)16-17-8-6-5-7-9-17;;/h5-13,19H,3-4,14-16H2,1-2H3;2*1H
InChIKeyOXQHGKVYUOWYCL-UHFFFAOYSA-N
MW371.35 g/mol
LogP4.57
Rot. Bonds9

About N,N-diethyl-2-(2-phenyl-1-pyridin-4-ylethoxy)ethanamine;dihydrochloride

N,N-diethyl-2-(2-phenyl-1-pyridin-4-ylethoxy)ethanamine;dihydrochloride (PubChem CID 3024448) has the molecular formula C19H28Cl2N2O and a molecular weight of 371.35 g/mol. Its IUPAC name is N,N-diethyl-2-(2-phenyl-1-pyridin-4-ylethoxy)ethanamine;dihydrochloride.

Molecular Properties

Compound NameN,N-diethyl-2-(2-phenyl-1-pyridin-4-ylethoxy)ethanamine;dihydrochloride
PubChem CID3024448
Molecular FormulaC19H28Cl2N2O
Molecular Weight371.35 g/mol
Exact Mass370.16
IUPAC NameN,N-diethyl-2-(2-phenyl-1-pyridin-4-ylethoxy)ethanamine;dihydrochloride
SMILESCCN(CC)CCOC(Cc1ccccc1)c1ccncc1.Cl.Cl
InChIInChI=1S/C19H26N2O.2ClH/c1-3-21(4-2)14-15-22-19(18-10-12-20-13-11-18)16-17-8-6-5-7-9-17;;/h5-13,19H,3-4,14-16H2,1-2H3;2*1H
InChIKeyOXQHGKVYUOWYCL-UHFFFAOYSA-N
XLogP4.57
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.35
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-(2-phenyl-1-pyridin-4-ylethoxy)ethanamine;dihydrochloride?
The IUPAC name of N,N-diethyl-2-(2-phenyl-1-pyridin-4-ylethoxy)ethanamine;dihydrochloride (CID 3024448) is N,N-diethyl-2-(2-phenyl-1-pyridin-4-ylethoxy)ethanamine;dihydrochloride.
What is the SMILES notation for N,N-diethyl-2-(2-phenyl-1-pyridin-4-ylethoxy)ethanamine;dihydrochloride?
The canonical SMILES for N,N-diethyl-2-(2-phenyl-1-pyridin-4-ylethoxy)ethanamine;dihydrochloride is CCN(CC)CCOC(Cc1ccccc1)c1ccncc1.Cl.Cl.
What is the InChIKey of N,N-diethyl-2-(2-phenyl-1-pyridin-4-ylethoxy)ethanamine;dihydrochloride?
The InChIKey is OXQHGKVYUOWYCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O.2ClH/c1-3-21(4-2)14-15-22-19(18-10-12-20-13-11-18)16-17-8-6-5-7-9-17;;/h5-13,19H,3-4,14-16H2,1-2H3;2*1H.
What are the key properties of N,N-diethyl-2-(2-phenyl-1-pyridin-4-ylethoxy)ethanamine;dihydrochloride?
N,N-diethyl-2-(2-phenyl-1-pyridin-4-ylethoxy)ethanamine;dihydrochloride has a molecular weight of 371.35 g/mol, XLogP of 4.57, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-(2-phenyl-1-pyridin-4-ylethoxy)ethanamine;dihydrochloride is sourced from PubChem (CID 3024448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).