1-[[4-[3-(dimethylamino)propoxy]-3-methoxyphenyl]methyl-methylamino]-3-indol-1-ylpropan-2-ol

C25H35N3O3 — CID 132778798

IUPAC1-[[4-[3-(dimethylamino)propoxy]-3-methoxyphenyl]methyl-methylamino]-3-indol-1-ylpropan-2-ol
SMILESCOc1cc(CN(C)CC(O)Cn2ccc3ccccc32)ccc1OCCCN(C)C
InChIInChI=1S/C25H35N3O3/c1-26(2)13-7-15-31-24-11-10-20(16-25(24)30-4)17-27(3)18-22(29)19-28-14-12-21-8-5-6-9-23(21)28/h5-6,8-12,14,16,22,29H,7,13,15,17-19H2,1-4H3
InChIKeyBFOPYVMCOUUUFB-UHFFFAOYSA-N
MW425.57 g/mol
LogP3.47
Rot. Bonds12

About 1-[[4-[3-(dimethylamino)propoxy]-3-methoxyphenyl]methyl-methylamino]-3-indol-1-ylpropan-2-ol

1-[[4-[3-(dimethylamino)propoxy]-3-methoxyphenyl]methyl-methylamino]-3-indol-1-ylpropan-2-ol (PubChem CID 132778798) has the molecular formula C25H35N3O3 and a molecular weight of 425.57 g/mol. Its IUPAC name is 1-[[4-[3-(dimethylamino)propoxy]-3-methoxyphenyl]methyl-methylamino]-3-indol-1-ylpropan-2-ol.

Molecular Properties

Compound Name1-[[4-[3-(dimethylamino)propoxy]-3-methoxyphenyl]methyl-methylamino]-3-indol-1-ylpropan-2-ol
PubChem CID132778798
Molecular FormulaC25H35N3O3
Molecular Weight425.57 g/mol
Exact Mass425.27
IUPAC Name1-[[4-[3-(dimethylamino)propoxy]-3-methoxyphenyl]methyl-methylamino]-3-indol-1-ylpropan-2-ol
SMILESCOc1cc(CN(C)CC(O)Cn2ccc3ccccc32)ccc1OCCCN(C)C
InChIInChI=1S/C25H35N3O3/c1-26(2)13-7-15-31-24-11-10-20(16-25(24)30-4)17-27(3)18-22(29)19-28-14-12-21-8-5-6-9-23(21)28/h5-6,8-12,14,16,22,29H,7,13,15,17-19H2,1-4H3
InChIKeyBFOPYVMCOUUUFB-UHFFFAOYSA-N
XLogP3.47
TPSA50.10 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.57
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

1-[[4-[3-(dimethylamino)propoxy]-3-methoxyphenyl]methyl-methylamino]-3-(4-methoxyphenoxy)propan-2-ol
CID 132778982
(2R)-1-[[4-[2-(2-hydroxyethoxy)ethoxy]phenyl]methyl-methylamino]-3-indol-1-ylpropan-2-ol
CID 129457750
(2S)-1-[2-(3,4-dimethoxyphenyl)ethylamino]-3-indol-1-ylpropan-2-ol
CID 7037495
1-[[4-(2-hydroxyethoxy)-3-methoxyphenyl]methyl-methylamino]-3-(4-methoxyphenoxy)propan-2-ol
CID 132778130
1-[3-[4-[[[(2R)-2-hydroxy-3-indol-1-ylpropyl]-methylamino]methyl]phenoxy]propyl]pyrrolidin-2-one
CID 129458533
(2R)-1-[[4-methoxy-3-(2-methoxyethoxy)phenyl]methyl-methylamino]-3-[2-(trifluoromethyl)benzimidazol-1-yl]propan-2-ol
CID 129459527
(2R)-1-carbazol-9-yl-3-[[4-(2-hydroxyethoxy)-3-methoxyphenyl]methyl-(3-hydroxypropyl)amino]propan-2-ol
CID 129455263
2-[4-[[[(2R)-2-hydroxy-3-indol-1-ylpropyl]-methylamino]methyl]phenoxy]-1-morpholin-4-ylethanone
CID 129458218
(2R)-1-[benzyl(methyl)amino]-3-[5-[(dimethylamino)methyl]-2-methoxyphenoxy]propan-2-ol
CID 42511734
1-[4-[[3-(dimethylamino)propyl-methylamino]methyl]-2-methoxyphenoxy]-3-[methyl(propan-2-yl)amino]propan-2-ol
CID 45234175
1-[[4-[2-(diethylamino)ethoxy]-3-methoxyphenyl]methyl-methylamino]-3-(2-propan-2-ylphenoxy)propan-2-ol
CID 156789903
1-[[4-[2-(dimethylamino)ethoxy]-3-methoxyphenyl]methyl-(2-hydroxyethyl)amino]-3-phenothiazin-10-ylpropan-2-ol
CID 132780782

Frequently Asked Questions

What is the IUPAC name of 1-[[4-[3-(dimethylamino)propoxy]-3-methoxyphenyl]methyl-methylamino]-3-indol-1-ylpropan-2-ol?
The IUPAC name of 1-[[4-[3-(dimethylamino)propoxy]-3-methoxyphenyl]methyl-methylamino]-3-indol-1-ylpropan-2-ol (CID 132778798) is 1-[[4-[3-(dimethylamino)propoxy]-3-methoxyphenyl]methyl-methylamino]-3-indol-1-ylpropan-2-ol.
What is the SMILES notation for 1-[[4-[3-(dimethylamino)propoxy]-3-methoxyphenyl]methyl-methylamino]-3-indol-1-ylpropan-2-ol?
The canonical SMILES for 1-[[4-[3-(dimethylamino)propoxy]-3-methoxyphenyl]methyl-methylamino]-3-indol-1-ylpropan-2-ol is COc1cc(CN(C)CC(O)Cn2ccc3ccccc32)ccc1OCCCN(C)C.
What is the InChIKey of 1-[[4-[3-(dimethylamino)propoxy]-3-methoxyphenyl]methyl-methylamino]-3-indol-1-ylpropan-2-ol?
The InChIKey is BFOPYVMCOUUUFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H35N3O3/c1-26(2)13-7-15-31-24-11-10-20(16-25(24)30-4)17-27(3)18-22(29)19-28-14-12-21-8-5-6-9-23(21)28/h5-6,8-12,14,16,22,29H,7,13,15,17-19H2,1-4H3.
What are the key properties of 1-[[4-[3-(dimethylamino)propoxy]-3-methoxyphenyl]methyl-methylamino]-3-indol-1-ylpropan-2-ol?
1-[[4-[3-(dimethylamino)propoxy]-3-methoxyphenyl]methyl-methylamino]-3-indol-1-ylpropan-2-ol has a molecular weight of 425.57 g/mol, XLogP of 3.47, 12 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-[3-(dimethylamino)propoxy]-3-methoxyphenyl]methyl-methylamino]-3-indol-1-ylpropan-2-ol is sourced from PubChem (CID 132778798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).