6-(aminomethyl)-4-benzylmorpholin-3-one;hydrochloride

C12H17ClN2O2 — CID 146050632

IUPAC6-(aminomethyl)-4-benzylmorpholin-3-one;hydrochloride
SMILESCl.NCC1CN(Cc2ccccc2)C(=O)CO1
InChIInChI=1S/C12H16N2O2.ClH/c13-6-11-8-14(12(15)9-16-11)7-10-4-2-1-3-5-10;/h1-5,11H,6-9,13H2;1H
InChIKeyHRAVPVFIPAVWEQ-UHFFFAOYSA-N
MW256.73 g/mol
LogP0.79
Rot. Bonds3

About 6-(aminomethyl)-4-benzylmorpholin-3-one;hydrochloride

6-(aminomethyl)-4-benzylmorpholin-3-one;hydrochloride (PubChem CID 146050632) has the molecular formula C12H17ClN2O2 and a molecular weight of 256.73 g/mol. Its IUPAC name is 6-(aminomethyl)-4-benzylmorpholin-3-one;hydrochloride.

Molecular Properties

Compound Name6-(aminomethyl)-4-benzylmorpholin-3-one;hydrochloride
PubChem CID146050632
Molecular FormulaC12H17ClN2O2
Molecular Weight256.73 g/mol
Exact Mass256.10
IUPAC Name6-(aminomethyl)-4-benzylmorpholin-3-one;hydrochloride
SMILESCl.NCC1CN(Cc2ccccc2)C(=O)CO1
InChIInChI=1S/C12H16N2O2.ClH/c13-6-11-8-14(12(15)9-16-11)7-10-4-2-1-3-5-10;/h1-5,11H,6-9,13H2;1H
InChIKeyHRAVPVFIPAVWEQ-UHFFFAOYSA-N
XLogP0.79
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.73
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(6R)-6-(aminomethyl)-4-(pyridin-2-ylmethyl)morpholin-3-one
CID 42078812
6-(2-aminoethyl)-4-[(3-hydroxyphenyl)methyl]morpholin-3-one
CID 115060343
6-(hydroxymethyl)-4-(2-phenylethyl)morpholin-3-one
CID 117008961
4-benzyl-6-piperidin-4-ylmorpholin-3-one
CID 115067805
2-[4-[(3-fluorophenyl)methyl]-5-oxomorpholin-2-yl]acetic acid
CID 115060361
4-benzyl-6-(3-fluorophenyl)morpholin-3-one
CID 73211209
(6S)-6-(aminomethyl)-4-(2-methoxyethyl)morpholin-3-one
CID 42249905
4-benzyl-1,4-oxazepan-3-one
CID 46318286
6-(aminomethyl)-4-[2-(trifluoromethyl)phenyl]morpholin-3-one
CID 115060288
6-(aminomethyl)-4-naphthalen-2-ylmorpholin-3-one
CID 116838193
3-benzyl-5-ethyl-1,3-oxazolidin-2-one
CID 58532625
4-benzyl-5H-1,4-benzoxazepin-3-one
CID 22665722

Frequently Asked Questions

What is the IUPAC name of 6-(aminomethyl)-4-benzylmorpholin-3-one;hydrochloride?
The IUPAC name of 6-(aminomethyl)-4-benzylmorpholin-3-one;hydrochloride (CID 146050632) is 6-(aminomethyl)-4-benzylmorpholin-3-one;hydrochloride.
What is the SMILES notation for 6-(aminomethyl)-4-benzylmorpholin-3-one;hydrochloride?
The canonical SMILES for 6-(aminomethyl)-4-benzylmorpholin-3-one;hydrochloride is Cl.NCC1CN(Cc2ccccc2)C(=O)CO1.
What is the InChIKey of 6-(aminomethyl)-4-benzylmorpholin-3-one;hydrochloride?
The InChIKey is HRAVPVFIPAVWEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2.ClH/c13-6-11-8-14(12(15)9-16-11)7-10-4-2-1-3-5-10;/h1-5,11H,6-9,13H2;1H.
What are the key properties of 6-(aminomethyl)-4-benzylmorpholin-3-one;hydrochloride?
6-(aminomethyl)-4-benzylmorpholin-3-one;hydrochloride has a molecular weight of 256.73 g/mol, XLogP of 0.79, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(aminomethyl)-4-benzylmorpholin-3-one;hydrochloride is sourced from PubChem (CID 146050632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).