N-ethyl-1-(oxolan-2-yl)-2-phenylethanamine;hydrochloride

C14H22ClNO — CID 146155399

IUPACN-ethyl-1-(oxolan-2-yl)-2-phenylethanamine;hydrochloride
SMILESCCNC(Cc1ccccc1)C1CCCO1.Cl
InChIInChI=1S/C14H21NO.ClH/c1-2-15-13(14-9-6-10-16-14)11-12-7-4-3-5-8-12;/h3-5,7-8,13-15H,2,6,9-11H2,1H3;1H
InChIKeyUFYOIEUPECIBNM-UHFFFAOYSA-N
MW255.79 g/mol
LogP2.81
Rot. Bonds5

About N-ethyl-1-(oxolan-2-yl)-2-phenylethanamine;hydrochloride

N-ethyl-1-(oxolan-2-yl)-2-phenylethanamine;hydrochloride (PubChem CID 146155399) has the molecular formula C14H22ClNO and a molecular weight of 255.79 g/mol. Its IUPAC name is N-ethyl-1-(oxolan-2-yl)-2-phenylethanamine;hydrochloride.

Molecular Properties

Compound NameN-ethyl-1-(oxolan-2-yl)-2-phenylethanamine;hydrochloride
PubChem CID146155399
Molecular FormulaC14H22ClNO
Molecular Weight255.79 g/mol
Exact Mass255.14
IUPAC NameN-ethyl-1-(oxolan-2-yl)-2-phenylethanamine;hydrochloride
SMILESCCNC(Cc1ccccc1)C1CCCO1.Cl
InChIInChI=1S/C14H21NO.ClH/c1-2-15-13(14-9-6-10-16-14)11-12-7-4-3-5-8-12;/h3-5,7-8,13-15H,2,6,9-11H2,1H3;1H
InChIKeyUFYOIEUPECIBNM-UHFFFAOYSA-N
XLogP2.81
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.79
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(oxolan-2-yl)-2-phenylethanamine;hydrochloride?
The IUPAC name of N-ethyl-1-(oxolan-2-yl)-2-phenylethanamine;hydrochloride (CID 146155399) is N-ethyl-1-(oxolan-2-yl)-2-phenylethanamine;hydrochloride.
What is the SMILES notation for N-ethyl-1-(oxolan-2-yl)-2-phenylethanamine;hydrochloride?
The canonical SMILES for N-ethyl-1-(oxolan-2-yl)-2-phenylethanamine;hydrochloride is CCNC(Cc1ccccc1)C1CCCO1.Cl.
What is the InChIKey of N-ethyl-1-(oxolan-2-yl)-2-phenylethanamine;hydrochloride?
The InChIKey is UFYOIEUPECIBNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO.ClH/c1-2-15-13(14-9-6-10-16-14)11-12-7-4-3-5-8-12;/h3-5,7-8,13-15H,2,6,9-11H2,1H3;1H.
What are the key properties of N-ethyl-1-(oxolan-2-yl)-2-phenylethanamine;hydrochloride?
N-ethyl-1-(oxolan-2-yl)-2-phenylethanamine;hydrochloride has a molecular weight of 255.79 g/mol, XLogP of 2.81, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(oxolan-2-yl)-2-phenylethanamine;hydrochloride is sourced from PubChem (CID 146155399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).