(1R)-1-[(2S)-4-benzylmorpholin-2-yl]-N-(2-pyridin-2-ylethyl)ethanamine

C20H27N3O — CID 97229015

IUPAC(1R)-1-[(2S)-4-benzylmorpholin-2-yl]-N-(2-pyridin-2-ylethyl)ethanamine
SMILESC[C@@H](NCCc1ccccn1)[C@@H]1CN(Cc2ccccc2)CCO1
InChIInChI=1S/C20H27N3O/c1-17(21-12-10-19-9-5-6-11-22-19)20-16-23(13-14-24-20)15-18-7-3-2-4-8-18/h2-9,11,17,20-21H,10,12-16H2,1H3/t17-,20+/m1/s1
InChIKeyZDLLXECGDCFWDN-XLIONFOSSA-N
MW325.46 g/mol
LogP2.50
Rot. Bonds7

About (1R)-1-[(2S)-4-benzylmorpholin-2-yl]-N-(2-pyridin-2-ylethyl)ethanamine

(1R)-1-[(2S)-4-benzylmorpholin-2-yl]-N-(2-pyridin-2-ylethyl)ethanamine (PubChem CID 97229015) has the molecular formula C20H27N3O and a molecular weight of 325.46 g/mol. Its IUPAC name is (1R)-1-[(2S)-4-benzylmorpholin-2-yl]-N-(2-pyridin-2-ylethyl)ethanamine.

Molecular Properties

Compound Name(1R)-1-[(2S)-4-benzylmorpholin-2-yl]-N-(2-pyridin-2-ylethyl)ethanamine
PubChem CID97229015
Molecular FormulaC20H27N3O
Molecular Weight325.46 g/mol
Exact Mass325.22
IUPAC Name(1R)-1-[(2S)-4-benzylmorpholin-2-yl]-N-(2-pyridin-2-ylethyl)ethanamine
SMILESC[C@@H](NCCc1ccccn1)[C@@H]1CN(Cc2ccccc2)CCO1
InChIInChI=1S/C20H27N3O/c1-17(21-12-10-19-9-5-6-11-22-19)20-16-23(13-14-24-20)15-18-7-3-2-4-8-18/h2-9,11,17,20-21H,10,12-16H2,1H3/t17-,20+/m1/s1
InChIKeyZDLLXECGDCFWDN-XLIONFOSSA-N
XLogP2.50
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.46
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1R)-1-[(2R)-4-benzylmorpholin-2-yl]-N-(2-pyridin-2-ylethyl)ethanamine
CID 97229017
(1S)-1-[(2S)-4-benzylmorpholin-2-yl]ethanamine
CID 95396414
1-[[1-(4-benzylmorpholin-2-yl)ethylamino]methyl]cyclopentan-1-ol
CID 84587815
CID 89203711
CID 89203711
6-[[(1S)-1-[(2R)-4-benzylmorpholin-2-yl]ethyl]amino]pyridine-3-carbonitrile
CID 97216224
N-[(1R)-1-[(2S)-4-benzylmorpholin-2-yl]ethyl]-2-methoxyacetamide
CID 95981588
N-[(1S)-1-[(2R)-4-benzylmorpholin-2-yl]ethyl]-2-methoxyacetamide
CID 95981589
N-[(1S)-1-[(2R)-4-benzylmorpholin-2-yl]ethyl]-1,3-thiazole-4-carboxamide
CID 95981601
N-[(1S)-1-[(2S)-4-benzylmorpholin-2-yl]ethyl]-7H-purin-6-amine
CID 99810697
N-[(1R)-1-[(2R)-4-benzylmorpholin-2-yl]ethyl]-6-methylpyridine-3-carboxamide
CID 95775940
(6S)-4-benzyl-6-(pyridin-2-ylmethyl)-1,4-oxazepane
CID 125016191
(R)-[(2S)-4-benzylmorpholin-2-yl]-phenylmethanol
CID 58997973

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[(2S)-4-benzylmorpholin-2-yl]-N-(2-pyridin-2-ylethyl)ethanamine?
The IUPAC name of (1R)-1-[(2S)-4-benzylmorpholin-2-yl]-N-(2-pyridin-2-ylethyl)ethanamine (CID 97229015) is (1R)-1-[(2S)-4-benzylmorpholin-2-yl]-N-(2-pyridin-2-ylethyl)ethanamine.
What is the SMILES notation for (1R)-1-[(2S)-4-benzylmorpholin-2-yl]-N-(2-pyridin-2-ylethyl)ethanamine?
The canonical SMILES for (1R)-1-[(2S)-4-benzylmorpholin-2-yl]-N-(2-pyridin-2-ylethyl)ethanamine is C[C@@H](NCCc1ccccn1)[C@@H]1CN(Cc2ccccc2)CCO1.
What is the InChIKey of (1R)-1-[(2S)-4-benzylmorpholin-2-yl]-N-(2-pyridin-2-ylethyl)ethanamine?
The InChIKey is ZDLLXECGDCFWDN-XLIONFOSSA-N. The full InChI is InChI=1S/C20H27N3O/c1-17(21-12-10-19-9-5-6-11-22-19)20-16-23(13-14-24-20)15-18-7-3-2-4-8-18/h2-9,11,17,20-21H,10,12-16H2,1H3/t17-,20+/m1/s1.
What are the key properties of (1R)-1-[(2S)-4-benzylmorpholin-2-yl]-N-(2-pyridin-2-ylethyl)ethanamine?
(1R)-1-[(2S)-4-benzylmorpholin-2-yl]-N-(2-pyridin-2-ylethyl)ethanamine has a molecular weight of 325.46 g/mol, XLogP of 2.50, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[(2S)-4-benzylmorpholin-2-yl]-N-(2-pyridin-2-ylethyl)ethanamine is sourced from PubChem (CID 97229015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).