1-(3,3-diphenylpropylamino)-3-[2-(1-methoxy-3-phenylpropyl)phenoxy]propan-2-ol

C34H39NO3 — CID 10673263

IUPAC1-(3,3-diphenylpropylamino)-3-[2-(1-methoxy-3-phenylpropyl)phenoxy]propan-2-ol
SMILESCOC(CCc1ccccc1)c1ccccc1OCC(O)CNCCC(c1ccccc1)c1ccccc1
InChIInChI=1S/C34H39NO3/c1-37-33(22-21-27-13-5-2-6-14-27)32-19-11-12-20-34(32)38-26-30(36)25-35-24-23-31(28-15-7-3-8-16-28)29-17-9-4-10-18-29/h2-20,30-31,33,35-36H,21-26H2,1H3
InChIKeyDCAZAGGSPNTUCU-UHFFFAOYSA-N
MW509.69 g/mol
LogP6.56
Rot. Bonds15

About 1-(3,3-diphenylpropylamino)-3-[2-(1-methoxy-3-phenylpropyl)phenoxy]propan-2-ol

1-(3,3-diphenylpropylamino)-3-[2-(1-methoxy-3-phenylpropyl)phenoxy]propan-2-ol (PubChem CID 10673263) has the molecular formula C34H39NO3 and a molecular weight of 509.69 g/mol. Its IUPAC name is 1-(3,3-diphenylpropylamino)-3-[2-(1-methoxy-3-phenylpropyl)phenoxy]propan-2-ol.

Molecular Properties

Compound Name1-(3,3-diphenylpropylamino)-3-[2-(1-methoxy-3-phenylpropyl)phenoxy]propan-2-ol
PubChem CID10673263
Molecular FormulaC34H39NO3
Molecular Weight509.69 g/mol
Exact Mass509.29
IUPAC Name1-(3,3-diphenylpropylamino)-3-[2-(1-methoxy-3-phenylpropyl)phenoxy]propan-2-ol
SMILESCOC(CCc1ccccc1)c1ccccc1OCC(O)CNCCC(c1ccccc1)c1ccccc1
InChIInChI=1S/C34H39NO3/c1-37-33(22-21-27-13-5-2-6-14-27)32-19-11-12-20-34(32)38-26-30(36)25-35-24-23-31(28-15-7-3-8-16-28)29-17-9-4-10-18-29/h2-20,30-31,33,35-36H,21-26H2,1H3
InChIKeyDCAZAGGSPNTUCU-UHFFFAOYSA-N
XLogP6.56
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds15
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500509.69
LogP ≤ 56.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-(3,3-diphenylpropylamino)-3-[2-(1-methoxy-3-phenylpropyl)phenoxy]propan-2-ol with MolForge

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Related Compounds

Penbutolol
CID 37464
Berlafenone
CID 65691
Procinolol
CID 71707
(R)-1-methoxy-3-[(3S,4R,5R)-4-[4-[3-(2-methoxy-benzyloxy)-propoxy]-phenyl]-5-(4-methoxy-naphthalen-2-ylmethoxy)-piperidin-3-yloxy]-propan-2-ol
CID 9939362
Exaprolol Hydrochloride
CID 65484
2-Propanol, 1-benzylamino-3-(naphthyloxy)-
CID 205773
4-[1-Hydroxy-2-[2-[4-(2-hydroxy-2-phenylethoxy)phenyl]ethylamino]ethyl]-2-(hydroxymethyl)phenol
CID 22712045
2-((R)-3-(diisopropylamino)-1-phenylpropyl)-4-(4-(4-(2-((R)-2-hydroxy-2-(4-hydroxy-3-(hydroxymethyl)phenyl)ethylamino)ethyl)phenoxy)butyl)phenol
CID 24876564
1-(2-Allyl-phenoxy)-3-methylamino-propan-2-ol
CID 650108
(+-)-Penbutolol
CID 4724
2-Propanol, 1-(4-(2-(cyclohexylmethoxy)ethyl)phenoxy)-3-((1-methylethyl)amino)-, hydrochloride
CID 3047499
Exaprolol
CID 65485

Frequently Asked Questions

What is the IUPAC name of 1-(3,3-diphenylpropylamino)-3-[2-(1-methoxy-3-phenylpropyl)phenoxy]propan-2-ol?
The IUPAC name of 1-(3,3-diphenylpropylamino)-3-[2-(1-methoxy-3-phenylpropyl)phenoxy]propan-2-ol (CID 10673263) is 1-(3,3-diphenylpropylamino)-3-[2-(1-methoxy-3-phenylpropyl)phenoxy]propan-2-ol.
What is the SMILES notation for 1-(3,3-diphenylpropylamino)-3-[2-(1-methoxy-3-phenylpropyl)phenoxy]propan-2-ol?
The canonical SMILES for 1-(3,3-diphenylpropylamino)-3-[2-(1-methoxy-3-phenylpropyl)phenoxy]propan-2-ol is COC(CCc1ccccc1)c1ccccc1OCC(O)CNCCC(c1ccccc1)c1ccccc1.
What is the InChIKey of 1-(3,3-diphenylpropylamino)-3-[2-(1-methoxy-3-phenylpropyl)phenoxy]propan-2-ol?
The InChIKey is DCAZAGGSPNTUCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H39NO3/c1-37-33(22-21-27-13-5-2-6-14-27)32-19-11-12-20-34(32)38-26-30(36)25-35-24-23-31(28-15-7-3-8-16-28)29-17-9-4-10-18-29/h2-20,30-31,33,35-36H,21-26H2,1H3.
What are the key properties of 1-(3,3-diphenylpropylamino)-3-[2-(1-methoxy-3-phenylpropyl)phenoxy]propan-2-ol?
1-(3,3-diphenylpropylamino)-3-[2-(1-methoxy-3-phenylpropyl)phenoxy]propan-2-ol has a molecular weight of 509.69 g/mol, XLogP of 6.56, 15 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,3-diphenylpropylamino)-3-[2-(1-methoxy-3-phenylpropyl)phenoxy]propan-2-ol is sourced from PubChem (CID 10673263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).