1-[(2-morpholin-4-ylphenyl)methylamino]-3-pyrrolidin-1-ylpropan-2-ol

C18H29N3O2 — CID 110928639

IUPAC1-[(2-morpholin-4-ylphenyl)methylamino]-3-pyrrolidin-1-ylpropan-2-ol
SMILESOC(CNCc1ccccc1N1CCOCC1)CN1CCCC1
InChIInChI=1S/C18H29N3O2/c22-17(15-20-7-3-4-8-20)14-19-13-16-5-1-2-6-18(16)21-9-11-23-12-10-21/h1-2,5-6,17,19,22H,3-4,7-15H2
InChIKeyUHYPODOYWLPBGK-UHFFFAOYSA-N
MW319.45 g/mol
LogP1.07
Rot. Bonds7

About 1-[(2-morpholin-4-ylphenyl)methylamino]-3-pyrrolidin-1-ylpropan-2-ol

1-[(2-morpholin-4-ylphenyl)methylamino]-3-pyrrolidin-1-ylpropan-2-ol (PubChem CID 110928639) has the molecular formula C18H29N3O2 and a molecular weight of 319.45 g/mol. Its IUPAC name is 1-[(2-morpholin-4-ylphenyl)methylamino]-3-pyrrolidin-1-ylpropan-2-ol.

Molecular Properties

Compound Name1-[(2-morpholin-4-ylphenyl)methylamino]-3-pyrrolidin-1-ylpropan-2-ol
PubChem CID110928639
Molecular FormulaC18H29N3O2
Molecular Weight319.45 g/mol
Exact Mass319.23
IUPAC Name1-[(2-morpholin-4-ylphenyl)methylamino]-3-pyrrolidin-1-ylpropan-2-ol
SMILESOC(CNCc1ccccc1N1CCOCC1)CN1CCCC1
InChIInChI=1S/C18H29N3O2/c22-17(15-20-7-3-4-8-20)14-19-13-16-5-1-2-6-18(16)21-9-11-23-12-10-21/h1-2,5-6,17,19,22H,3-4,7-15H2
InChIKeyUHYPODOYWLPBGK-UHFFFAOYSA-N
XLogP1.07
TPSA47.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.45
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3,3-dimethyl-1-[(2-morpholin-4-ylphenyl)methylamino]butan-2-ol
CID 111119117
2-morpholin-4-yl-N-[(2-pyrrolidin-1-ylphenyl)methyl]ethanamine
CID 43220540
1-(3,4-dihydro-1H-isochromen-5-ylmethylamino)-3-morpholin-4-ylpropan-2-ol
CID 167917444
1-cyclopropyl-2-[(2-pyrrolidin-1-ylphenyl)methylamino]ethanol
CID 63294792
1-[(2,5-difluorophenyl)methylamino]-3-morpholin-4-ylpropan-2-ol
CID 63032651
1-[(2-prop-2-ynoxyphenyl)methylamino]-3-pyrrolidin-1-ylpropan-2-ol
CID 110910791
2-methyl-N-[(2-morpholin-4-ylphenyl)methyl]propanamide
CID 47400471
4-[[(2-hydroxy-3-morpholin-4-ylpropyl)amino]methyl]phenol
CID 115572172
1-pyrrolidin-1-yl-3-(quinolin-8-ylmethylamino)propan-2-ol
CID 78986962
(1S)-N,N-dimethyl-N'-[(2-morpholin-4-ylphenyl)methyl]-1-thiophen-3-ylethane-1,2-diamine
CID 95177735
2,3-dimethyl-1-[(2-morpholin-4-ylphenyl)methylamino]pentan-2-ol
CID 111118881
1-(2-morpholin-4-ylphenyl)propan-2-ol
CID 83674895

Frequently Asked Questions

What is the IUPAC name of 1-[(2-morpholin-4-ylphenyl)methylamino]-3-pyrrolidin-1-ylpropan-2-ol?
The IUPAC name of 1-[(2-morpholin-4-ylphenyl)methylamino]-3-pyrrolidin-1-ylpropan-2-ol (CID 110928639) is 1-[(2-morpholin-4-ylphenyl)methylamino]-3-pyrrolidin-1-ylpropan-2-ol.
What is the SMILES notation for 1-[(2-morpholin-4-ylphenyl)methylamino]-3-pyrrolidin-1-ylpropan-2-ol?
The canonical SMILES for 1-[(2-morpholin-4-ylphenyl)methylamino]-3-pyrrolidin-1-ylpropan-2-ol is OC(CNCc1ccccc1N1CCOCC1)CN1CCCC1.
What is the InChIKey of 1-[(2-morpholin-4-ylphenyl)methylamino]-3-pyrrolidin-1-ylpropan-2-ol?
The InChIKey is UHYPODOYWLPBGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O2/c22-17(15-20-7-3-4-8-20)14-19-13-16-5-1-2-6-18(16)21-9-11-23-12-10-21/h1-2,5-6,17,19,22H,3-4,7-15H2.
What are the key properties of 1-[(2-morpholin-4-ylphenyl)methylamino]-3-pyrrolidin-1-ylpropan-2-ol?
1-[(2-morpholin-4-ylphenyl)methylamino]-3-pyrrolidin-1-ylpropan-2-ol has a molecular weight of 319.45 g/mol, XLogP of 1.07, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-morpholin-4-ylphenyl)methylamino]-3-pyrrolidin-1-ylpropan-2-ol is sourced from PubChem (CID 110928639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).