1-[benzyl-[(1-methylpyrrol-2-yl)methyl]amino]-3-morpholin-4-ylpropan-2-ol

C20H29N3O2 — CID 42794999

IUPAC1-[benzyl-[(1-methylpyrrol-2-yl)methyl]amino]-3-morpholin-4-ylpropan-2-ol
SMILESCn1cccc1CN(Cc1ccccc1)CC(O)CN1CCOCC1
InChIInChI=1S/C20H29N3O2/c1-21-9-5-8-19(21)15-23(14-18-6-3-2-4-7-18)17-20(24)16-22-10-12-25-13-11-22/h2-9,20,24H,10-17H2,1H3
InChIKeyCKWKRWRWCUOMPE-UHFFFAOYSA-N
MW343.47 g/mol
LogP1.72
Rot. Bonds8

About 1-[benzyl-[(1-methylpyrrol-2-yl)methyl]amino]-3-morpholin-4-ylpropan-2-ol

1-[benzyl-[(1-methylpyrrol-2-yl)methyl]amino]-3-morpholin-4-ylpropan-2-ol (PubChem CID 42794999) has the molecular formula C20H29N3O2 and a molecular weight of 343.47 g/mol. Its IUPAC name is 1-[benzyl-[(1-methylpyrrol-2-yl)methyl]amino]-3-morpholin-4-ylpropan-2-ol.

Molecular Properties

Compound Name1-[benzyl-[(1-methylpyrrol-2-yl)methyl]amino]-3-morpholin-4-ylpropan-2-ol
PubChem CID42794999
Molecular FormulaC20H29N3O2
Molecular Weight343.47 g/mol
Exact Mass343.23
IUPAC Name1-[benzyl-[(1-methylpyrrol-2-yl)methyl]amino]-3-morpholin-4-ylpropan-2-ol
SMILESCn1cccc1CN(Cc1ccccc1)CC(O)CN1CCOCC1
InChIInChI=1S/C20H29N3O2/c1-21-9-5-8-19(21)15-23(14-18-6-3-2-4-7-18)17-20(24)16-22-10-12-25-13-11-22/h2-9,20,24H,10-17H2,1H3
InChIKeyCKWKRWRWCUOMPE-UHFFFAOYSA-N
XLogP1.72
TPSA40.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.47
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[benzyl-[(1-methylpyrrol-2-yl)methyl]amino]-3-morpholin-4-ylpropan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[benzyl(tert-butyl)amino]-3-morpholin-4-ylpropan-2-ol
CID 3742716
1-[(4-fluorophenyl)methyl-[(1-methylpyrrol-2-yl)methyl]amino]butan-2-ol
CID 24713180
2-[benzyl-[(1-methylpyrrol-2-yl)methyl]amino]ethanol
CID 110880251
1-[benzyl-[[3-(4-chlorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]amino]-3-morpholin-4-ylpropan-2-ol
CID 46014400
2-(dibenzylamino)-N-[2-hydroxy-3-(4-methylpiperazin-1-yl)propyl]-N-methylacetamide
CID 166191408
N-[(1-methylpyrrol-2-yl)methyl]-N-(3-morpholin-4-ylpropyl)-2-phenylacetamide
CID 42705113
1-[[1-[(2-fluorophenyl)methyl]pyrrol-2-yl]methyl-prop-2-enylamino]-3-morpholin-4-ylpropan-2-ol
CID 42794798
(2S)-1-[furan-2-ylmethyl-[(1-methylpyrrol-2-yl)methyl]amino]-3-phenylmethoxypropan-2-ol
CID 93161997
(2R)-1-[(3-methylphenyl)methyl-(2-morpholin-4-ylethyl)amino]-3-phenylpropan-2-ol
CID 93162213
(2R)-1-[(1-methylpyrrol-2-yl)methyl-[[(2R)-oxolan-2-yl]methyl]amino]-3-phenylmethoxypropan-2-ol
CID 129421000
1-[benzyl-[2-[3-(4-nitrophenyl)-1,2,4-oxadiazol-5-yl]ethyl]amino]-3-morpholin-4-ylpropan-2-ol
CID 46150931
(2R)-1-[(4-methylphenyl)methyl-(2-morpholin-4-ylethyl)amino]-3-phenoxypropan-2-ol
CID 93163691

Frequently Asked Questions

What is the IUPAC name of 1-[benzyl-[(1-methylpyrrol-2-yl)methyl]amino]-3-morpholin-4-ylpropan-2-ol?
The IUPAC name of 1-[benzyl-[(1-methylpyrrol-2-yl)methyl]amino]-3-morpholin-4-ylpropan-2-ol (CID 42794999) is 1-[benzyl-[(1-methylpyrrol-2-yl)methyl]amino]-3-morpholin-4-ylpropan-2-ol.
What is the SMILES notation for 1-[benzyl-[(1-methylpyrrol-2-yl)methyl]amino]-3-morpholin-4-ylpropan-2-ol?
The canonical SMILES for 1-[benzyl-[(1-methylpyrrol-2-yl)methyl]amino]-3-morpholin-4-ylpropan-2-ol is Cn1cccc1CN(Cc1ccccc1)CC(O)CN1CCOCC1.
What is the InChIKey of 1-[benzyl-[(1-methylpyrrol-2-yl)methyl]amino]-3-morpholin-4-ylpropan-2-ol?
The InChIKey is CKWKRWRWCUOMPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O2/c1-21-9-5-8-19(21)15-23(14-18-6-3-2-4-7-18)17-20(24)16-22-10-12-25-13-11-22/h2-9,20,24H,10-17H2,1H3.
What are the key properties of 1-[benzyl-[(1-methylpyrrol-2-yl)methyl]amino]-3-morpholin-4-ylpropan-2-ol?
1-[benzyl-[(1-methylpyrrol-2-yl)methyl]amino]-3-morpholin-4-ylpropan-2-ol has a molecular weight of 343.47 g/mol, XLogP of 1.72, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[benzyl-[(1-methylpyrrol-2-yl)methyl]amino]-3-morpholin-4-ylpropan-2-ol is sourced from PubChem (CID 42794999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).