1-[[4-methoxy-3-(2-methoxyethoxy)phenyl]methyl-methylamino]-3-phenoxypropan-2-ol

C21H29NO5 — CID 132777879

IUPAC1-[[4-methoxy-3-(2-methoxyethoxy)phenyl]methyl-methylamino]-3-phenoxypropan-2-ol
SMILESCOCCOc1cc(CN(C)CC(O)COc2ccccc2)ccc1OC
InChIInChI=1S/C21H29NO5/c1-22(15-18(23)16-27-19-7-5-4-6-8-19)14-17-9-10-20(25-3)21(13-17)26-12-11-24-2/h4-10,13,18,23H,11-12,14-16H2,1-3H3
InChIKeyMBUOBDRCXHCINE-UHFFFAOYSA-N
MW375.47 g/mol
LogP2.59
Rot. Bonds12

About 1-[[4-methoxy-3-(2-methoxyethoxy)phenyl]methyl-methylamino]-3-phenoxypropan-2-ol

1-[[4-methoxy-3-(2-methoxyethoxy)phenyl]methyl-methylamino]-3-phenoxypropan-2-ol (PubChem CID 132777879) has the molecular formula C21H29NO5 and a molecular weight of 375.47 g/mol. Its IUPAC name is 1-[[4-methoxy-3-(2-methoxyethoxy)phenyl]methyl-methylamino]-3-phenoxypropan-2-ol.

Molecular Properties

Compound Name1-[[4-methoxy-3-(2-methoxyethoxy)phenyl]methyl-methylamino]-3-phenoxypropan-2-ol
PubChem CID132777879
Molecular FormulaC21H29NO5
Molecular Weight375.47 g/mol
Exact Mass375.20
IUPAC Name1-[[4-methoxy-3-(2-methoxyethoxy)phenyl]methyl-methylamino]-3-phenoxypropan-2-ol
SMILESCOCCOc1cc(CN(C)CC(O)COc2ccccc2)ccc1OC
InChIInChI=1S/C21H29NO5/c1-22(15-18(23)16-27-19-7-5-4-6-8-19)14-17-9-10-20(25-3)21(13-17)26-12-11-24-2/h4-10,13,18,23H,11-12,14-16H2,1-3H3
InChIKeyMBUOBDRCXHCINE-UHFFFAOYSA-N
XLogP2.59
TPSA60.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.47
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 1-[[4-methoxy-3-(2-methoxyethoxy)phenyl]methyl-methylamino]-3-phenoxypropan-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

(2R)-1-[benzyl(methyl)amino]-3-[5-[(dimethylamino)methyl]-2-methoxyphenoxy]propan-2-ol
CID 42511734
1-[benzyl(methyl)amino]-3-[2-methoxy-5-[(2-phenoxyethylamino)methyl]phenoxy]propan-2-ol
CID 45242008
1-cyclohexyloxy-3-[[4-methoxy-3-(2-methoxyethoxy)phenyl]methyl-methylamino]propan-2-ol
CID 155984690
1-[[4-(2-hydroxyethoxy)-3-methoxyphenyl]methyl-methylamino]-3-(4-methoxyphenoxy)propan-2-ol
CID 132778130
(2S)-1-(3-bromophenoxy)-3-[(3,4-dimethoxyphenyl)methyl-methylamino]propan-2-ol
CID 26009134
1-(3-bromophenoxy)-3-[(3,4-dimethoxyphenyl)methyl-methylamino]propan-2-ol
CID 17479987
1-[benzyl-[(3,4-dimethoxyphenyl)methyl]amino]-3-phenoxypropan-2-ol
CID 46006860
methyl 4-[3-[(3,4-dimethoxyphenyl)methyl-methylamino]-2-hydroxypropoxy]benzoate
CID 46664178
1-[[4-[3-(dimethylamino)propoxy]-3-methoxyphenyl]methyl-methylamino]-3-(4-methoxyphenoxy)propan-2-ol
CID 132778982
(2R)-1-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl-methylamino]-3-(4-phenylphenoxy)propan-2-ol
CID 2508986
(2R)-1-[benzyl(methyl)amino]-3-[5-[[2-(diethylamino)ethyl-methylamino]methyl]-2-methoxyphenoxy]propan-2-ol
CID 51633903
1-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]-3-(4-fluorophenoxy)propan-2-ol
CID 110878823

Frequently Asked Questions

What is the IUPAC name of 1-[[4-methoxy-3-(2-methoxyethoxy)phenyl]methyl-methylamino]-3-phenoxypropan-2-ol?
The IUPAC name of 1-[[4-methoxy-3-(2-methoxyethoxy)phenyl]methyl-methylamino]-3-phenoxypropan-2-ol (CID 132777879) is 1-[[4-methoxy-3-(2-methoxyethoxy)phenyl]methyl-methylamino]-3-phenoxypropan-2-ol.
What is the SMILES notation for 1-[[4-methoxy-3-(2-methoxyethoxy)phenyl]methyl-methylamino]-3-phenoxypropan-2-ol?
The canonical SMILES for 1-[[4-methoxy-3-(2-methoxyethoxy)phenyl]methyl-methylamino]-3-phenoxypropan-2-ol is COCCOc1cc(CN(C)CC(O)COc2ccccc2)ccc1OC.
What is the InChIKey of 1-[[4-methoxy-3-(2-methoxyethoxy)phenyl]methyl-methylamino]-3-phenoxypropan-2-ol?
The InChIKey is MBUOBDRCXHCINE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29NO5/c1-22(15-18(23)16-27-19-7-5-4-6-8-19)14-17-9-10-20(25-3)21(13-17)26-12-11-24-2/h4-10,13,18,23H,11-12,14-16H2,1-3H3.
What are the key properties of 1-[[4-methoxy-3-(2-methoxyethoxy)phenyl]methyl-methylamino]-3-phenoxypropan-2-ol?
1-[[4-methoxy-3-(2-methoxyethoxy)phenyl]methyl-methylamino]-3-phenoxypropan-2-ol has a molecular weight of 375.47 g/mol, XLogP of 2.59, 12 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-methoxy-3-(2-methoxyethoxy)phenyl]methyl-methylamino]-3-phenoxypropan-2-ol is sourced from PubChem (CID 132777879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).