2-methyl-1-morpholin-4-yl-3-[[1-(1-phenylethyl)pyrrolidin-3-yl]amino]propan-2-ol

C20H33N3O2 — CID 71855462

IUPAC2-methyl-1-morpholin-4-yl-3-[[1-(1-phenylethyl)pyrrolidin-3-yl]amino]propan-2-ol
SMILESCC(c1ccccc1)N1CCC(NCC(C)(O)CN2CCOCC2)C1
InChIInChI=1S/C20H33N3O2/c1-17(18-6-4-3-5-7-18)23-9-8-19(14-23)21-15-20(2,24)16-22-10-12-25-13-11-22/h3-7,17,19,21,24H,8-16H2,1-2H3
InChIKeyZXMRLUCFMUHXBO-UHFFFAOYSA-N
MW347.50 g/mol
LogP1.49
Rot. Bonds7

About 2-methyl-1-morpholin-4-yl-3-[[1-(1-phenylethyl)pyrrolidin-3-yl]amino]propan-2-ol

2-methyl-1-morpholin-4-yl-3-[[1-(1-phenylethyl)pyrrolidin-3-yl]amino]propan-2-ol (PubChem CID 71855462) has the molecular formula C20H33N3O2 and a molecular weight of 347.50 g/mol. Its IUPAC name is 2-methyl-1-morpholin-4-yl-3-[[1-(1-phenylethyl)pyrrolidin-3-yl]amino]propan-2-ol.

Molecular Properties

Compound Name2-methyl-1-morpholin-4-yl-3-[[1-(1-phenylethyl)pyrrolidin-3-yl]amino]propan-2-ol
PubChem CID71855462
Molecular FormulaC20H33N3O2
Molecular Weight347.50 g/mol
Exact Mass347.26
IUPAC Name2-methyl-1-morpholin-4-yl-3-[[1-(1-phenylethyl)pyrrolidin-3-yl]amino]propan-2-ol
SMILESCC(c1ccccc1)N1CCC(NCC(C)(O)CN2CCOCC2)C1
InChIInChI=1S/C20H33N3O2/c1-17(18-6-4-3-5-7-18)23-9-8-19(14-23)21-15-20(2,24)16-22-10-12-25-13-11-22/h3-7,17,19,21,24H,8-16H2,1-2H3
InChIKeyZXMRLUCFMUHXBO-UHFFFAOYSA-N
XLogP1.49
TPSA47.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.50
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-methyl-1-morpholin-4-yl-3-[[1-(1-phenylethyl)pyrrolidin-3-yl]amino]propan-2-ol with MolForge

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Related Compounds

(3R)-N-ethyl-1-[(1R)-1-phenylethyl]pyrrolidin-3-amine
CID 98177963
(1S)-1-(4-methylphenyl)-2-[[(3R)-1-[(1R)-1-phenylethyl]pyrrolidin-3-yl]amino]ethanol
CID 98848116
2-methyl-N-[(3S)-1-[(1S)-1-phenylethyl]pyrrolidin-3-yl]propanamide
CID 94197653
2-methyl-N-[1-(1-phenylethyl)pyrrolidin-3-yl]propanamide
CID 47070507
N-[(3S)-1-[(1R)-1-phenylethyl]pyrrolidin-3-yl]propanamide
CID 98726634
1-cyclopropyl-3-[(3R)-1-[(1R)-1-phenylethyl]pyrrolidin-3-yl]thiourea
CID 98760713
(3S)-1-[(1S)-1-phenylethyl]-N-(1,3-thiazol-4-ylmethyl)pyrrolidin-3-amine
CID 95598751
1-(1-phenylethyl)-N-(pyridin-3-ylmethyl)pyrrolidin-3-amine
CID 56827336
N-benzyl-3-[[(3S)-1-[(1S)-1-phenylethyl]pyrrolidin-3-yl]amino]propanamide
CID 95972242
7,16-bis[(1R)-1-phenylethyl]-1,4,10,13-tetraoxa-7,16-diazacyclooctadecane
CID 12990897
4-(1-phenylethyl)morpholine;hydrochloride
CID 3057369
2-[[1-(1-phenylethyl)pyrrolidin-3-yl]amino]pentanoic acid
CID 122039894

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-morpholin-4-yl-3-[[1-(1-phenylethyl)pyrrolidin-3-yl]amino]propan-2-ol?
The IUPAC name of 2-methyl-1-morpholin-4-yl-3-[[1-(1-phenylethyl)pyrrolidin-3-yl]amino]propan-2-ol (CID 71855462) is 2-methyl-1-morpholin-4-yl-3-[[1-(1-phenylethyl)pyrrolidin-3-yl]amino]propan-2-ol.
What is the SMILES notation for 2-methyl-1-morpholin-4-yl-3-[[1-(1-phenylethyl)pyrrolidin-3-yl]amino]propan-2-ol?
The canonical SMILES for 2-methyl-1-morpholin-4-yl-3-[[1-(1-phenylethyl)pyrrolidin-3-yl]amino]propan-2-ol is CC(c1ccccc1)N1CCC(NCC(C)(O)CN2CCOCC2)C1.
What is the InChIKey of 2-methyl-1-morpholin-4-yl-3-[[1-(1-phenylethyl)pyrrolidin-3-yl]amino]propan-2-ol?
The InChIKey is ZXMRLUCFMUHXBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33N3O2/c1-17(18-6-4-3-5-7-18)23-9-8-19(14-23)21-15-20(2,24)16-22-10-12-25-13-11-22/h3-7,17,19,21,24H,8-16H2,1-2H3.
What are the key properties of 2-methyl-1-morpholin-4-yl-3-[[1-(1-phenylethyl)pyrrolidin-3-yl]amino]propan-2-ol?
2-methyl-1-morpholin-4-yl-3-[[1-(1-phenylethyl)pyrrolidin-3-yl]amino]propan-2-ol has a molecular weight of 347.50 g/mol, XLogP of 1.49, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-morpholin-4-yl-3-[[1-(1-phenylethyl)pyrrolidin-3-yl]amino]propan-2-ol is sourced from PubChem (CID 71855462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).