2-[[1-[(3-methoxyphenyl)methyl]pyrrol-2-yl]methyl-(2-morpholin-4-ylethyl)amino]-2-methylpropan-1-ol

C23H35N3O3 — CID 7207228

IUPAC2-[[1-[(3-methoxyphenyl)methyl]pyrrol-2-yl]methyl-(2-morpholin-4-ylethyl)amino]-2-methylpropan-1-ol
SMILESCOc1cccc(Cn2cccc2CN(CCN2CCOCC2)C(C)(C)CO)c1
InChIInChI=1S/C23H35N3O3/c1-23(2,19-27)26(11-10-24-12-14-29-15-13-24)18-21-7-5-9-25(21)17-20-6-4-8-22(16-20)28-3/h4-9,16,27H,10-15,17-19H2,1-3H3
InChIKeyXPZJONCJQZILNI-UHFFFAOYSA-N
MW401.55 g/mol
LogP2.45
Rot. Bonds10

About 2-[[1-[(3-methoxyphenyl)methyl]pyrrol-2-yl]methyl-(2-morpholin-4-ylethyl)amino]-2-methylpropan-1-ol

2-[[1-[(3-methoxyphenyl)methyl]pyrrol-2-yl]methyl-(2-morpholin-4-ylethyl)amino]-2-methylpropan-1-ol (PubChem CID 7207228) has the molecular formula C23H35N3O3 and a molecular weight of 401.55 g/mol. Its IUPAC name is 2-[[1-[(3-methoxyphenyl)methyl]pyrrol-2-yl]methyl-(2-morpholin-4-ylethyl)amino]-2-methylpropan-1-ol.

Molecular Properties

Compound Name2-[[1-[(3-methoxyphenyl)methyl]pyrrol-2-yl]methyl-(2-morpholin-4-ylethyl)amino]-2-methylpropan-1-ol
PubChem CID7207228
Molecular FormulaC23H35N3O3
Molecular Weight401.55 g/mol
Exact Mass401.27
IUPAC Name2-[[1-[(3-methoxyphenyl)methyl]pyrrol-2-yl]methyl-(2-morpholin-4-ylethyl)amino]-2-methylpropan-1-ol
SMILESCOc1cccc(Cn2cccc2CN(CCN2CCOCC2)C(C)(C)CO)c1
InChIInChI=1S/C23H35N3O3/c1-23(2,19-27)26(11-10-24-12-14-29-15-13-24)18-21-7-5-9-25(21)17-20-6-4-8-22(16-20)28-3/h4-9,16,27H,10-15,17-19H2,1-3H3
InChIKeyXPZJONCJQZILNI-UHFFFAOYSA-N
XLogP2.45
TPSA50.10 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.55
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[[1-[(3-methoxyphenyl)methyl]pyrrol-2-yl]methyl-(2-morpholin-4-ylethyl)amino]-2-methylpropan-1-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

N-[(1-benzylpyrrol-2-yl)methyl]-N-[(3-methoxyphenyl)methyl]-2-morpholin-4-ylethanamine
CID 7331033
2-[[1-[(2-fluorophenyl)methyl]pyrrol-2-yl]methyl-(2-morpholin-4-ylethyl)amino]-2-methylpropan-1-ol
CID 42795027
2-[[1-[(3-fluorophenyl)methyl]pyrrol-2-yl]methyl-(3-methylbutyl)amino]-2-methylpropan-1-ol
CID 7415378
2-[[1-[(4-tert-butylphenyl)methyl]pyrrol-2-yl]methyl-(3-methoxypropyl)amino]-2-methylpropan-1-ol
CID 7265329
4-[3-(3-methoxyphenyl)propyl]morpholine
CID 91901626
1-[[1-[(3-methoxyphenyl)methyl]imidazol-2-yl]methyl]-1-(2-morpholin-4-ylethyl)-3-propan-2-ylurea
CID 42819953
4-[3-[1-[2-(3-methoxyphenoxy)ethyl]pyrrol-2-yl]propyl]morpholine
CID 170871078
N-[(4-methoxyphenyl)methyl]-N-[[1-[(3-methoxyphenyl)methyl]pyrrol-2-yl]methyl]cyclopropanamine
CID 42795161
N-[(2-fluorophenyl)methyl]-N-[[1-[(3-methylphenyl)methyl]pyrrol-2-yl]methyl]-2-morpholin-4-ylethanamine
CID 7201677
(2R)-1-[cyclopropyl-[[1-[(3-methoxyphenyl)methyl]pyrrol-2-yl]methyl]amino]-3-methoxypropan-2-ol
CID 7249183
(3S)-N-cyclohexyl-N-[[1-[(3-methoxyphenyl)methyl]pyrrol-2-yl]methyl]-3,5,5-trimethylhexanamide
CID 7226409
1-methoxy-3-[[1-[(3-methoxyphenyl)methyl]pyrrol-2-yl]methyl-(2-methylpropyl)amino]propan-2-ol
CID 42794946

Frequently Asked Questions

What is the IUPAC name of 2-[[1-[(3-methoxyphenyl)methyl]pyrrol-2-yl]methyl-(2-morpholin-4-ylethyl)amino]-2-methylpropan-1-ol?
The IUPAC name of 2-[[1-[(3-methoxyphenyl)methyl]pyrrol-2-yl]methyl-(2-morpholin-4-ylethyl)amino]-2-methylpropan-1-ol (CID 7207228) is 2-[[1-[(3-methoxyphenyl)methyl]pyrrol-2-yl]methyl-(2-morpholin-4-ylethyl)amino]-2-methylpropan-1-ol.
What is the SMILES notation for 2-[[1-[(3-methoxyphenyl)methyl]pyrrol-2-yl]methyl-(2-morpholin-4-ylethyl)amino]-2-methylpropan-1-ol?
The canonical SMILES for 2-[[1-[(3-methoxyphenyl)methyl]pyrrol-2-yl]methyl-(2-morpholin-4-ylethyl)amino]-2-methylpropan-1-ol is COc1cccc(Cn2cccc2CN(CCN2CCOCC2)C(C)(C)CO)c1.
What is the InChIKey of 2-[[1-[(3-methoxyphenyl)methyl]pyrrol-2-yl]methyl-(2-morpholin-4-ylethyl)amino]-2-methylpropan-1-ol?
The InChIKey is XPZJONCJQZILNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H35N3O3/c1-23(2,19-27)26(11-10-24-12-14-29-15-13-24)18-21-7-5-9-25(21)17-20-6-4-8-22(16-20)28-3/h4-9,16,27H,10-15,17-19H2,1-3H3.
What are the key properties of 2-[[1-[(3-methoxyphenyl)methyl]pyrrol-2-yl]methyl-(2-morpholin-4-ylethyl)amino]-2-methylpropan-1-ol?
2-[[1-[(3-methoxyphenyl)methyl]pyrrol-2-yl]methyl-(2-morpholin-4-ylethyl)amino]-2-methylpropan-1-ol has a molecular weight of 401.55 g/mol, XLogP of 2.45, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-[(3-methoxyphenyl)methyl]pyrrol-2-yl]methyl-(2-morpholin-4-ylethyl)amino]-2-methylpropan-1-ol is sourced from PubChem (CID 7207228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).