2-(4-benzylmorpholin-2-yl)ethanamine;dihydrochloride

C13H22Cl2N2O — CID 102594221

IUPAC2-(4-benzylmorpholin-2-yl)ethanamine;dihydrochloride
SMILESCl.Cl.NCCC1CN(Cc2ccccc2)CCO1
InChIInChI=1S/C13H20N2O.2ClH/c14-7-6-13-11-15(8-9-16-13)10-12-4-2-1-3-5-12;;/h1-5,13H,6-11,14H2;2*1H
InChIKeyZYPYEYOBNSJQSG-UHFFFAOYSA-N
MW293.24 g/mol
LogP2.08
Rot. Bonds4

About 2-(4-benzylmorpholin-2-yl)ethanamine;dihydrochloride

2-(4-benzylmorpholin-2-yl)ethanamine;dihydrochloride (PubChem CID 102594221) has the molecular formula C13H22Cl2N2O and a molecular weight of 293.24 g/mol. Its IUPAC name is 2-(4-benzylmorpholin-2-yl)ethanamine;dihydrochloride.

Molecular Properties

Compound Name2-(4-benzylmorpholin-2-yl)ethanamine;dihydrochloride
PubChem CID102594221
Molecular FormulaC13H22Cl2N2O
Molecular Weight293.24 g/mol
Exact Mass292.11
IUPAC Name2-(4-benzylmorpholin-2-yl)ethanamine;dihydrochloride
SMILESCl.Cl.NCCC1CN(Cc2ccccc2)CCO1
InChIInChI=1S/C13H20N2O.2ClH/c14-7-6-13-11-15(8-9-16-13)10-12-4-2-1-3-5-12;;/h1-5,13H,6-11,14H2;2*1H
InChIKeyZYPYEYOBNSJQSG-UHFFFAOYSA-N
XLogP2.08
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.24
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-[(4-phenoxyphenyl)methyl]morpholin-2-yl]ethanamine
CID 74241226
3-[[2-(2-aminoethyl)morpholin-4-yl]methyl]benzoic acid;dihydrochloride
CID 154906261
[(2R)-4-benzylmorpholin-2-yl]methanol;hydrochloride
CID 132648231
3-(4-benzylmorpholin-2-yl)propan-1-ol
CID 23079673
4-[[2-(2-aminoethyl)morpholin-4-yl]methyl]benzonitrile
CID 14881847
2-[4-[(2,6-dichlorophenyl)methyl]morpholin-2-yl]ethanamine
CID 74237243
1-(4-benzylmorpholin-2-yl)-N-iodomethanamine
CID 163437962
N-(2-aminoethyl)-2-(4-benzylmorpholin-2-yl)acetamide
CID 119383303
2-(azidomethyl)-4-benzylmorpholine
CID 19848617
(4-benzylmorpholin-2-yl)methylcarbamic acid
CID 21104645
[(2R)-4-benzylmorpholin-2-yl]methyl benzoate
CID 54346550
2-[(2R)-4-[[6-(trifluoromethyl)-3-pyridinyl]methyl]morpholin-2-yl]ethanamine
CID 125438590

Frequently Asked Questions

What is the IUPAC name of 2-(4-benzylmorpholin-2-yl)ethanamine;dihydrochloride?
The IUPAC name of 2-(4-benzylmorpholin-2-yl)ethanamine;dihydrochloride (CID 102594221) is 2-(4-benzylmorpholin-2-yl)ethanamine;dihydrochloride.
What is the SMILES notation for 2-(4-benzylmorpholin-2-yl)ethanamine;dihydrochloride?
The canonical SMILES for 2-(4-benzylmorpholin-2-yl)ethanamine;dihydrochloride is Cl.Cl.NCCC1CN(Cc2ccccc2)CCO1.
What is the InChIKey of 2-(4-benzylmorpholin-2-yl)ethanamine;dihydrochloride?
The InChIKey is ZYPYEYOBNSJQSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O.2ClH/c14-7-6-13-11-15(8-9-16-13)10-12-4-2-1-3-5-12;;/h1-5,13H,6-11,14H2;2*1H.
What are the key properties of 2-(4-benzylmorpholin-2-yl)ethanamine;dihydrochloride?
2-(4-benzylmorpholin-2-yl)ethanamine;dihydrochloride has a molecular weight of 293.24 g/mol, XLogP of 2.08, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-benzylmorpholin-2-yl)ethanamine;dihydrochloride is sourced from PubChem (CID 102594221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).