2-amino-1-[bis(2-methoxyphenyl)-phenylmethoxy]propan-1-ol

C24H27NO4 — CID 67730640

IUPAC2-amino-1-[bis(2-methoxyphenyl)-phenylmethoxy]propan-1-ol
SMILESCOc1ccccc1C(OC(O)C(C)N)(c1ccccc1)c1ccccc1OC
InChIInChI=1S/C24H27NO4/c1-17(25)23(26)29-24(18-11-5-4-6-12-18,19-13-7-9-15-21(19)27-2)20-14-8-10-16-22(20)28-3/h4-17,23,26H,25H2,1-3H3
InChIKeyZWMFJOROPAJASH-UHFFFAOYSA-N
MW393.48 g/mol
LogP3.68
Rot. Bonds8

About 2-amino-1-[bis(2-methoxyphenyl)-phenylmethoxy]propan-1-ol

2-amino-1-[bis(2-methoxyphenyl)-phenylmethoxy]propan-1-ol (PubChem CID 67730640) has the molecular formula C24H27NO4 and a molecular weight of 393.48 g/mol. Its IUPAC name is 2-amino-1-[bis(2-methoxyphenyl)-phenylmethoxy]propan-1-ol.

Molecular Properties

Compound Name2-amino-1-[bis(2-methoxyphenyl)-phenylmethoxy]propan-1-ol
PubChem CID67730640
Molecular FormulaC24H27NO4
Molecular Weight393.48 g/mol
Exact Mass393.19
IUPAC Name2-amino-1-[bis(2-methoxyphenyl)-phenylmethoxy]propan-1-ol
SMILESCOc1ccccc1C(OC(O)C(C)N)(c1ccccc1)c1ccccc1OC
InChIInChI=1S/C24H27NO4/c1-17(25)23(26)29-24(18-11-5-4-6-12-18,19-13-7-9-15-21(19)27-2)20-14-8-10-16-22(20)28-3/h4-17,23,26H,25H2,1-3H3
InChIKeyZWMFJOROPAJASH-UHFFFAOYSA-N
XLogP3.68
TPSA73.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.48
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Related Compounds

(2S)-1,1-bis(2-methoxyphenyl)propane-1,2-diol
CID 7707238
1-[[amino-[bis(2-methoxyphenyl)-phenylmethoxy]phosphanyl]oxy-(2-methoxyphenyl)-phenylmethyl]-2-methoxybenzene
CID 67065346
3-[(2-methoxyphenyl)-diphenylmethoxy]propan-1-ol
CID 67427364
2-[2-[2-[bis(2-methoxyphenyl)-phenylmethoxy]ethoxy]ethoxy]ethanol
CID 126752153
2,2,2-trifluoro-1-(2-methoxyphenyl)-1-phenylethanol
CID 11778513
[ethylamino-[(2-methoxyphenyl)-diphenylmethoxy]methyl]phosphonic acid
CID 151300405
1-[1-[[(2-methoxyphenyl)-diphenylmethyl]amino]ethylamino]ethanol
CID 22352192
(1S,2R)-2-amino-1-(2-methoxyphenyl)propan-1-ol
CID 15671931
(2R)-2-amino-3-[(2-methoxyphenyl)-diphenylmethyl]sulfanylpropanoic acid
CID 67126813
2-(2-methoxyphenyl)-2-propan-2-yloxypropanoic acid
CID 114990548
3-amino-4-[bis(4-methoxyphenyl)-phenylmethoxy]butan-2-ol
CID 135215394
2-methoxy-1-(2-methoxyphenyl)-1-phenylethanol
CID 103465436

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-[bis(2-methoxyphenyl)-phenylmethoxy]propan-1-ol?
The IUPAC name of 2-amino-1-[bis(2-methoxyphenyl)-phenylmethoxy]propan-1-ol (CID 67730640) is 2-amino-1-[bis(2-methoxyphenyl)-phenylmethoxy]propan-1-ol.
What is the SMILES notation for 2-amino-1-[bis(2-methoxyphenyl)-phenylmethoxy]propan-1-ol?
The canonical SMILES for 2-amino-1-[bis(2-methoxyphenyl)-phenylmethoxy]propan-1-ol is COc1ccccc1C(OC(O)C(C)N)(c1ccccc1)c1ccccc1OC.
What is the InChIKey of 2-amino-1-[bis(2-methoxyphenyl)-phenylmethoxy]propan-1-ol?
The InChIKey is ZWMFJOROPAJASH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27NO4/c1-17(25)23(26)29-24(18-11-5-4-6-12-18,19-13-7-9-15-21(19)27-2)20-14-8-10-16-22(20)28-3/h4-17,23,26H,25H2,1-3H3.
What are the key properties of 2-amino-1-[bis(2-methoxyphenyl)-phenylmethoxy]propan-1-ol?
2-amino-1-[bis(2-methoxyphenyl)-phenylmethoxy]propan-1-ol has a molecular weight of 393.48 g/mol, XLogP of 3.68, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-[bis(2-methoxyphenyl)-phenylmethoxy]propan-1-ol is sourced from PubChem (CID 67730640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).