1-[(4-methylphenyl)-phenylmethoxy]-3-(1-phenylethylamino)propan-2-ol

C25H29NO2 — CID 4242936

IUPAC1-[(4-methylphenyl)-phenylmethoxy]-3-(1-phenylethylamino)propan-2-ol
SMILESCc1ccc(C(OCC(O)CNC(C)c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C25H29NO2/c1-19-13-15-23(16-14-19)25(22-11-7-4-8-12-22)28-18-24(27)17-26-20(2)21-9-5-3-6-10-21/h3-16,20,24-27H,17-18H2,1-2H3
InChIKeyUTLMVRAUAPUKKC-UHFFFAOYSA-N
MW375.51 g/mol
LogP4.81
Rot. Bonds9

About 1-[(4-methylphenyl)-phenylmethoxy]-3-(1-phenylethylamino)propan-2-ol

1-[(4-methylphenyl)-phenylmethoxy]-3-(1-phenylethylamino)propan-2-ol (PubChem CID 4242936) has the molecular formula C25H29NO2 and a molecular weight of 375.51 g/mol. Its IUPAC name is 1-[(4-methylphenyl)-phenylmethoxy]-3-(1-phenylethylamino)propan-2-ol.

Molecular Properties

Compound Name1-[(4-methylphenyl)-phenylmethoxy]-3-(1-phenylethylamino)propan-2-ol
PubChem CID4242936
Molecular FormulaC25H29NO2
Molecular Weight375.51 g/mol
Exact Mass375.22
IUPAC Name1-[(4-methylphenyl)-phenylmethoxy]-3-(1-phenylethylamino)propan-2-ol
SMILESCc1ccc(C(OCC(O)CNC(C)c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C25H29NO2/c1-19-13-15-23(16-14-19)25(22-11-7-4-8-12-22)28-18-24(27)17-26-20(2)21-9-5-3-6-10-21/h3-16,20,24-27H,17-18H2,1-2H3
InChIKeyUTLMVRAUAPUKKC-UHFFFAOYSA-N
XLogP4.81
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.51
LogP ≤ 54.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-methylphenyl)-phenylmethoxy]-3-(1-phenylethylamino)propan-2-ol?
The IUPAC name of 1-[(4-methylphenyl)-phenylmethoxy]-3-(1-phenylethylamino)propan-2-ol (CID 4242936) is 1-[(4-methylphenyl)-phenylmethoxy]-3-(1-phenylethylamino)propan-2-ol.
What is the SMILES notation for 1-[(4-methylphenyl)-phenylmethoxy]-3-(1-phenylethylamino)propan-2-ol?
The canonical SMILES for 1-[(4-methylphenyl)-phenylmethoxy]-3-(1-phenylethylamino)propan-2-ol is Cc1ccc(C(OCC(O)CNC(C)c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of 1-[(4-methylphenyl)-phenylmethoxy]-3-(1-phenylethylamino)propan-2-ol?
The InChIKey is UTLMVRAUAPUKKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29NO2/c1-19-13-15-23(16-14-19)25(22-11-7-4-8-12-22)28-18-24(27)17-26-20(2)21-9-5-3-6-10-21/h3-16,20,24-27H,17-18H2,1-2H3.
What are the key properties of 1-[(4-methylphenyl)-phenylmethoxy]-3-(1-phenylethylamino)propan-2-ol?
1-[(4-methylphenyl)-phenylmethoxy]-3-(1-phenylethylamino)propan-2-ol has a molecular weight of 375.51 g/mol, XLogP of 4.81, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-methylphenyl)-phenylmethoxy]-3-(1-phenylethylamino)propan-2-ol is sourced from PubChem (CID 4242936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).