N-[[(2S,3S)-4-ethyl-3-phenylmorpholin-2-yl]methyl]-1-[(2S)-pyrrolidin-2-yl]propan-1-amine

C20H33N3O — CID 167821379

IUPACN-[[(2S,3S)-4-ethyl-3-phenylmorpholin-2-yl]methyl]-1-[(2S)-pyrrolidin-2-yl]propan-1-amine
SMILESCCC(NC[C@@H]1OCCN(CC)[C@H]1c1ccccc1)[C@@H]1CCCN1
InChIInChI=1S/C20H33N3O/c1-3-17(18-11-8-12-21-18)22-15-19-20(16-9-6-5-7-10-16)23(4-2)13-14-24-19/h5-7,9-10,17-22H,3-4,8,11-15H2,1-2H3/t17?,18-,19-,20-/m0/s1
InChIKeyIQBRAZRCCHRYTH-NIVVRJPPSA-N
MW331.50 g/mol
LogP2.57
Rot. Bonds7

About N-[[(2S,3S)-4-ethyl-3-phenylmorpholin-2-yl]methyl]-1-[(2S)-pyrrolidin-2-yl]propan-1-amine

N-[[(2S,3S)-4-ethyl-3-phenylmorpholin-2-yl]methyl]-1-[(2S)-pyrrolidin-2-yl]propan-1-amine (PubChem CID 167821379) has the molecular formula C20H33N3O and a molecular weight of 331.50 g/mol. Its IUPAC name is N-[[(2S,3S)-4-ethyl-3-phenylmorpholin-2-yl]methyl]-1-[(2S)-pyrrolidin-2-yl]propan-1-amine.

Molecular Properties

Compound NameN-[[(2S,3S)-4-ethyl-3-phenylmorpholin-2-yl]methyl]-1-[(2S)-pyrrolidin-2-yl]propan-1-amine
PubChem CID167821379
Molecular FormulaC20H33N3O
Molecular Weight331.50 g/mol
Exact Mass331.26
IUPAC NameN-[[(2S,3S)-4-ethyl-3-phenylmorpholin-2-yl]methyl]-1-[(2S)-pyrrolidin-2-yl]propan-1-amine
SMILESCCC(NC[C@@H]1OCCN(CC)[C@H]1c1ccccc1)[C@@H]1CCCN1
InChIInChI=1S/C20H33N3O/c1-3-17(18-11-8-12-21-18)22-15-19-20(16-9-6-5-7-10-16)23(4-2)13-14-24-19/h5-7,9-10,17-22H,3-4,8,11-15H2,1-2H3/t17?,18-,19-,20-/m0/s1
InChIKeyIQBRAZRCCHRYTH-NIVVRJPPSA-N
XLogP2.57
TPSA36.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.50
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[(2S,3S)-4-ethyl-3-phenylmorpholin-2-yl]methyl]methanesulfonamide
CID 128977205
3-[[(2S,3S)-4-ethyl-3-phenylmorpholin-2-yl]methylamino]pyrazine-2-carbonitrile
CID 128979293
1-(1,5-dimethyltriazol-4-yl)-3-[[(2S,3S)-4-ethyl-3-phenylmorpholin-2-yl]methyl]urea
CID 131962873
N-[[3-(4-cyclopropylphenyl)-4-methylmorpholin-2-yl]methyl]propan-2-amine
CID 79971008
1-[[(2S,3S)-4-ethyl-3-phenylmorpholin-2-yl]methyl]-3-([1,2,4]triazolo[1,5-a]pyridin-2-yl)urea
CID 126821159
(2S)-2-[(1R)-1-phenylpropyl]pyrrolidine
CID 7047905
(2R)-2-[(1S)-1-phenylpropyl]pyrrolidine
CID 7047899
(2R)-2-[(1R)-1-phenylpropyl]pyrrolidine
CID 7047901
2-(1-phenylpropyl)pyrrolidine;hydrochloride
CID 17389655
[3-[3-(difluoromethyl)phenyl]-4-ethylmorpholin-2-yl]methanamine
CID 115529030
3-butyl-2-phenyl-1,3-oxazolidine
CID 17386684
[(2R,3R)-4-methyl-3-phenylmorpholin-2-yl]methanamine
CID 124832574

Frequently Asked Questions

What is the IUPAC name of N-[[(2S,3S)-4-ethyl-3-phenylmorpholin-2-yl]methyl]-1-[(2S)-pyrrolidin-2-yl]propan-1-amine?
The IUPAC name of N-[[(2S,3S)-4-ethyl-3-phenylmorpholin-2-yl]methyl]-1-[(2S)-pyrrolidin-2-yl]propan-1-amine (CID 167821379) is N-[[(2S,3S)-4-ethyl-3-phenylmorpholin-2-yl]methyl]-1-[(2S)-pyrrolidin-2-yl]propan-1-amine.
What is the SMILES notation for N-[[(2S,3S)-4-ethyl-3-phenylmorpholin-2-yl]methyl]-1-[(2S)-pyrrolidin-2-yl]propan-1-amine?
The canonical SMILES for N-[[(2S,3S)-4-ethyl-3-phenylmorpholin-2-yl]methyl]-1-[(2S)-pyrrolidin-2-yl]propan-1-amine is CCC(NC[C@@H]1OCCN(CC)[C@H]1c1ccccc1)[C@@H]1CCCN1.
What is the InChIKey of N-[[(2S,3S)-4-ethyl-3-phenylmorpholin-2-yl]methyl]-1-[(2S)-pyrrolidin-2-yl]propan-1-amine?
The InChIKey is IQBRAZRCCHRYTH-NIVVRJPPSA-N. The full InChI is InChI=1S/C20H33N3O/c1-3-17(18-11-8-12-21-18)22-15-19-20(16-9-6-5-7-10-16)23(4-2)13-14-24-19/h5-7,9-10,17-22H,3-4,8,11-15H2,1-2H3/t17?,18-,19-,20-/m0/s1.
What are the key properties of N-[[(2S,3S)-4-ethyl-3-phenylmorpholin-2-yl]methyl]-1-[(2S)-pyrrolidin-2-yl]propan-1-amine?
N-[[(2S,3S)-4-ethyl-3-phenylmorpholin-2-yl]methyl]-1-[(2S)-pyrrolidin-2-yl]propan-1-amine has a molecular weight of 331.50 g/mol, XLogP of 2.57, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2S,3S)-4-ethyl-3-phenylmorpholin-2-yl]methyl]-1-[(2S)-pyrrolidin-2-yl]propan-1-amine is sourced from PubChem (CID 167821379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).