4-[[[3-phenyl-3-(4-propan-2-yloxyphenyl)propyl]amino]methyl]phenol

C25H29NO2 — CID 2945915

IUPAC4-[[[3-phenyl-3-(4-propan-2-yloxyphenyl)propyl]amino]methyl]phenol
SMILESCC(C)Oc1ccc(C(CCNCc2ccc(O)cc2)c2ccccc2)cc1
InChIInChI=1S/C25H29NO2/c1-19(2)28-24-14-10-22(11-15-24)25(21-6-4-3-5-7-21)16-17-26-18-20-8-12-23(27)13-9-20/h3-15,19,25-27H,16-18H2,1-2H3
InChIKeyGZMRVEFNKBOYQH-UHFFFAOYSA-N
MW375.51 g/mol
LogP5.49
Rot. Bonds9

About 4-[[[3-phenyl-3-(4-propan-2-yloxyphenyl)propyl]amino]methyl]phenol

4-[[[3-phenyl-3-(4-propan-2-yloxyphenyl)propyl]amino]methyl]phenol (PubChem CID 2945915) has the molecular formula C25H29NO2 and a molecular weight of 375.51 g/mol. Its IUPAC name is 4-[[[3-phenyl-3-(4-propan-2-yloxyphenyl)propyl]amino]methyl]phenol.

Molecular Properties

Compound Name4-[[[3-phenyl-3-(4-propan-2-yloxyphenyl)propyl]amino]methyl]phenol
PubChem CID2945915
Molecular FormulaC25H29NO2
Molecular Weight375.51 g/mol
Exact Mass375.22
IUPAC Name4-[[[3-phenyl-3-(4-propan-2-yloxyphenyl)propyl]amino]methyl]phenol
SMILESCC(C)Oc1ccc(C(CCNCc2ccc(O)cc2)c2ccccc2)cc1
InChIInChI=1S/C25H29NO2/c1-19(2)28-24-14-10-22(11-15-24)25(21-6-4-3-5-7-21)16-17-26-18-20-8-12-23(27)13-9-20/h3-15,19,25-27H,16-18H2,1-2H3
InChIKeyGZMRVEFNKBOYQH-UHFFFAOYSA-N
XLogP5.49
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.51
LogP ≤ 55.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[[[3-phenyl-3-(4-propan-2-yloxyphenyl)propyl]amino]methyl]phenol?
The IUPAC name of 4-[[[3-phenyl-3-(4-propan-2-yloxyphenyl)propyl]amino]methyl]phenol (CID 2945915) is 4-[[[3-phenyl-3-(4-propan-2-yloxyphenyl)propyl]amino]methyl]phenol.
What is the SMILES notation for 4-[[[3-phenyl-3-(4-propan-2-yloxyphenyl)propyl]amino]methyl]phenol?
The canonical SMILES for 4-[[[3-phenyl-3-(4-propan-2-yloxyphenyl)propyl]amino]methyl]phenol is CC(C)Oc1ccc(C(CCNCc2ccc(O)cc2)c2ccccc2)cc1.
What is the InChIKey of 4-[[[3-phenyl-3-(4-propan-2-yloxyphenyl)propyl]amino]methyl]phenol?
The InChIKey is GZMRVEFNKBOYQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29NO2/c1-19(2)28-24-14-10-22(11-15-24)25(21-6-4-3-5-7-21)16-17-26-18-20-8-12-23(27)13-9-20/h3-15,19,25-27H,16-18H2,1-2H3.
What are the key properties of 4-[[[3-phenyl-3-(4-propan-2-yloxyphenyl)propyl]amino]methyl]phenol?
4-[[[3-phenyl-3-(4-propan-2-yloxyphenyl)propyl]amino]methyl]phenol has a molecular weight of 375.51 g/mol, XLogP of 5.49, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[[3-phenyl-3-(4-propan-2-yloxyphenyl)propyl]amino]methyl]phenol is sourced from PubChem (CID 2945915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).