1-[bis(4-methoxyphenyl)methoxy]-3-[2-(dimethylamino)ethylamino]propan-2-ol

C22H32N2O4 — CID 4851497

IUPAC1-[bis(4-methoxyphenyl)methoxy]-3-[2-(dimethylamino)ethylamino]propan-2-ol
SMILESCOc1ccc(C(OCC(O)CNCCN(C)C)c2ccc(OC)cc2)cc1
InChIInChI=1S/C22H32N2O4/c1-24(2)14-13-23-15-19(25)16-28-22(17-5-9-20(26-3)10-6-17)18-7-11-21(27-4)12-8-18/h5-12,19,22-23,25H,13-16H2,1-4H3
InChIKeyVNEZMXDNASMTQR-UHFFFAOYSA-N
MW388.51 g/mol
LogP2.32
Rot. Bonds12

About 1-[bis(4-methoxyphenyl)methoxy]-3-[2-(dimethylamino)ethylamino]propan-2-ol

1-[bis(4-methoxyphenyl)methoxy]-3-[2-(dimethylamino)ethylamino]propan-2-ol (PubChem CID 4851497) has the molecular formula C22H32N2O4 and a molecular weight of 388.51 g/mol. Its IUPAC name is 1-[bis(4-methoxyphenyl)methoxy]-3-[2-(dimethylamino)ethylamino]propan-2-ol.

Molecular Properties

Compound Name1-[bis(4-methoxyphenyl)methoxy]-3-[2-(dimethylamino)ethylamino]propan-2-ol
PubChem CID4851497
Molecular FormulaC22H32N2O4
Molecular Weight388.51 g/mol
Exact Mass388.24
IUPAC Name1-[bis(4-methoxyphenyl)methoxy]-3-[2-(dimethylamino)ethylamino]propan-2-ol
SMILESCOc1ccc(C(OCC(O)CNCCN(C)C)c2ccc(OC)cc2)cc1
InChIInChI=1S/C22H32N2O4/c1-24(2)14-13-23-15-19(25)16-28-22(17-5-9-20(26-3)10-6-17)18-7-11-21(27-4)12-8-18/h5-12,19,22-23,25H,13-16H2,1-4H3
InChIKeyVNEZMXDNASMTQR-UHFFFAOYSA-N
XLogP2.32
TPSA63.19 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.51
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

1-[3-(dimethylamino)propylamino]-3-(4-methoxyphenoxy)propan-2-ol
CID 60635246
(2S)-1-[bis(4-methoxyphenyl)methoxy]-3-[2-(cyclohexen-1-yl)ethylamino]propan-2-ol
CID 2093316
4-[(2S)-3-[2-(dimethylamino)ethylamino]-2-hydroxypropoxy]benzonitrile
CID 93381176
2-[(4-methoxyphenyl)-phenylmethoxy]-N,N-dimethylethanamine
CID 10669
1-(3-benzhydryloxypropylamino)-3-(4-methoxyphenoxy)propan-2-ol;oxalic acid
CID 110194018
4-[[2-hydroxy-3-(4-methoxyphenoxy)propyl]amino]butan-2-ol
CID 64913738
(2R)-1-[bis(2,3-dihydro-1,4-benzodioxin-6-yl)methoxy]-3-[2-[[(2R)-3-[bis(2,3-dihydro-1,4-benzodioxin-6-yl)methoxy]-2-hydroxypropyl]amino]ethylamino]propan-2-ol
CID 45483223
[(2S)-3-[bis(4-methoxyphenyl)methoxy]-2-hydroxypropyl]-[(2S)-butan-2-yl]azanium
CID 7998782
N-[2-(4-methoxyphenoxy)ethyl]-N',N'-dimethylethane-1,2-diamine
CID 60686611
1-[4,4-bis(4-methoxyphenyl)butylamino]-3-phenoxypropan-2-ol
CID 11604503
2-[2-(dimethylamino)ethylamino]-2-(6-methoxynaphthalen-2-yl)ethanol
CID 61055334
(2R)-1-[benzyl(2-methoxyethyl)amino]-3-[bis(4-methoxyphenyl)methoxy]propan-2-ol
CID 25413639

Frequently Asked Questions

What is the IUPAC name of 1-[bis(4-methoxyphenyl)methoxy]-3-[2-(dimethylamino)ethylamino]propan-2-ol?
The IUPAC name of 1-[bis(4-methoxyphenyl)methoxy]-3-[2-(dimethylamino)ethylamino]propan-2-ol (CID 4851497) is 1-[bis(4-methoxyphenyl)methoxy]-3-[2-(dimethylamino)ethylamino]propan-2-ol.
What is the SMILES notation for 1-[bis(4-methoxyphenyl)methoxy]-3-[2-(dimethylamino)ethylamino]propan-2-ol?
The canonical SMILES for 1-[bis(4-methoxyphenyl)methoxy]-3-[2-(dimethylamino)ethylamino]propan-2-ol is COc1ccc(C(OCC(O)CNCCN(C)C)c2ccc(OC)cc2)cc1.
What is the InChIKey of 1-[bis(4-methoxyphenyl)methoxy]-3-[2-(dimethylamino)ethylamino]propan-2-ol?
The InChIKey is VNEZMXDNASMTQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N2O4/c1-24(2)14-13-23-15-19(25)16-28-22(17-5-9-20(26-3)10-6-17)18-7-11-21(27-4)12-8-18/h5-12,19,22-23,25H,13-16H2,1-4H3.
What are the key properties of 1-[bis(4-methoxyphenyl)methoxy]-3-[2-(dimethylamino)ethylamino]propan-2-ol?
1-[bis(4-methoxyphenyl)methoxy]-3-[2-(dimethylamino)ethylamino]propan-2-ol has a molecular weight of 388.51 g/mol, XLogP of 2.32, 12 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[bis(4-methoxyphenyl)methoxy]-3-[2-(dimethylamino)ethylamino]propan-2-ol is sourced from PubChem (CID 4851497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).