1-[benzyl(methyl)amino]-3-[(3,4-dimethoxyphenyl)methyl-ethylamino]propan-2-ol

C22H32N2O3 — CID 47092518

IUPAC1-[benzyl(methyl)amino]-3-[(3,4-dimethoxyphenyl)methyl-ethylamino]propan-2-ol
SMILESCCN(Cc1ccc(OC)c(OC)c1)CC(O)CN(C)Cc1ccccc1
InChIInChI=1S/C22H32N2O3/c1-5-24(15-19-11-12-21(26-3)22(13-19)27-4)17-20(25)16-23(2)14-18-9-7-6-8-10-18/h6-13,20,25H,5,14-17H2,1-4H3
InChIKeyBSHUTRXVVAOAEF-UHFFFAOYSA-N
MW372.51 g/mol
LogP3.02
Rot. Bonds11

About 1-[benzyl(methyl)amino]-3-[(3,4-dimethoxyphenyl)methyl-ethylamino]propan-2-ol

1-[benzyl(methyl)amino]-3-[(3,4-dimethoxyphenyl)methyl-ethylamino]propan-2-ol (PubChem CID 47092518) has the molecular formula C22H32N2O3 and a molecular weight of 372.51 g/mol. Its IUPAC name is 1-[benzyl(methyl)amino]-3-[(3,4-dimethoxyphenyl)methyl-ethylamino]propan-2-ol.

Molecular Properties

Compound Name1-[benzyl(methyl)amino]-3-[(3,4-dimethoxyphenyl)methyl-ethylamino]propan-2-ol
PubChem CID47092518
Molecular FormulaC22H32N2O3
Molecular Weight372.51 g/mol
Exact Mass372.24
IUPAC Name1-[benzyl(methyl)amino]-3-[(3,4-dimethoxyphenyl)methyl-ethylamino]propan-2-ol
SMILESCCN(Cc1ccc(OC)c(OC)c1)CC(O)CN(C)Cc1ccccc1
InChIInChI=1S/C22H32N2O3/c1-5-24(15-19-11-12-21(26-3)22(13-19)27-4)17-20(25)16-23(2)14-18-9-7-6-8-10-18/h6-13,20,25H,5,14-17H2,1-4H3
InChIKeyBSHUTRXVVAOAEF-UHFFFAOYSA-N
XLogP3.02
TPSA45.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.51
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[benzyl(methyl)amino]-3-[(3,4-dimethoxyphenyl)methyl-ethylamino]propan-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-[[2-(diethylamino)ethyl-methylamino]methyl]-2-methoxyphenoxy]propan-2-ol
CID 51633903
(2R)-1-[benzyl(methyl)amino]-3-[5-[(dimethylamino)methyl]-2-methoxyphenoxy]propan-2-ol
CID 42511734
1-[benzyl-[(3,4-dimethoxyphenyl)methyl]amino]-3-phenoxypropan-2-ol
CID 46006860
1-[benzyl-[(3,4-dimethoxyphenyl)methyl]amino]-3-prop-2-enoxypropan-2-ol
CID 46006868
(2R)-1-[(3,4-dimethoxyphenyl)methyl-(2-methylpropyl)amino]-3-phenylpropan-2-ol
CID 93160830
1-[benzyl(methyl)amino]-3-[ethyl(methyl)amino]propan-2-ol
CID 110929931
(2R)-1-[(3,4-dimethoxyphenyl)methyl-(2-methoxyethyl)amino]-3-phenylpropan-2-ol
CID 93160858
N-[(3,4-dimethoxyphenyl)methyl]-N-methyl-1-(4-phenylphenyl)methanamine
CID 16555071
1-[[4-[2-(diethylamino)ethoxy]-3-methoxyphenyl]methyl-methylamino]-3-(2-propan-2-ylphenoxy)propan-2-ol
CID 156789903
4-[3-[(3,4-dimethoxyphenyl)methyl-ethylamino]-2-hydroxypropyl]-3-phenyl-1,2,4-oxadiazol-5-one
CID 86893144
1-[benzyl(methyl)amino]-3-[2-methoxy-5-[(2-phenoxyethylamino)methyl]phenoxy]propan-2-ol
CID 45242008
1-[[4-methoxy-3-(2-methoxyethoxy)phenyl]methyl-methylamino]-3-phenoxypropan-2-ol
CID 132777879

Frequently Asked Questions

What is the IUPAC name of 1-[benzyl(methyl)amino]-3-[(3,4-dimethoxyphenyl)methyl-ethylamino]propan-2-ol?
The IUPAC name of 1-[benzyl(methyl)amino]-3-[(3,4-dimethoxyphenyl)methyl-ethylamino]propan-2-ol (CID 47092518) is 1-[benzyl(methyl)amino]-3-[(3,4-dimethoxyphenyl)methyl-ethylamino]propan-2-ol.
What is the SMILES notation for 1-[benzyl(methyl)amino]-3-[(3,4-dimethoxyphenyl)methyl-ethylamino]propan-2-ol?
The canonical SMILES for 1-[benzyl(methyl)amino]-3-[(3,4-dimethoxyphenyl)methyl-ethylamino]propan-2-ol is CCN(Cc1ccc(OC)c(OC)c1)CC(O)CN(C)Cc1ccccc1.
What is the InChIKey of 1-[benzyl(methyl)amino]-3-[(3,4-dimethoxyphenyl)methyl-ethylamino]propan-2-ol?
The InChIKey is BSHUTRXVVAOAEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N2O3/c1-5-24(15-19-11-12-21(26-3)22(13-19)27-4)17-20(25)16-23(2)14-18-9-7-6-8-10-18/h6-13,20,25H,5,14-17H2,1-4H3.
What are the key properties of 1-[benzyl(methyl)amino]-3-[(3,4-dimethoxyphenyl)methyl-ethylamino]propan-2-ol?
1-[benzyl(methyl)amino]-3-[(3,4-dimethoxyphenyl)methyl-ethylamino]propan-2-ol has a molecular weight of 372.51 g/mol, XLogP of 3.02, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[benzyl(methyl)amino]-3-[(3,4-dimethoxyphenyl)methyl-ethylamino]propan-2-ol is sourced from PubChem (CID 47092518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).