1-[(4-methoxyphenyl)methyl-[(3-methylphenyl)methyl]amino]-3-phenoxypropan-2-ol

C25H29NO3 — CID 24717291

IUPAC1-[(4-methoxyphenyl)methyl-[(3-methylphenyl)methyl]amino]-3-phenoxypropan-2-ol
SMILESCOc1ccc(CN(Cc2cccc(C)c2)CC(O)COc2ccccc2)cc1
InChIInChI=1S/C25H29NO3/c1-20-7-6-8-22(15-20)17-26(16-21-11-13-24(28-2)14-12-21)18-23(27)19-29-25-9-4-3-5-10-25/h3-15,23,27H,16-19H2,1-2H3
InChIKeyDCAYITVLPXMSJX-UHFFFAOYSA-N
MW391.51 g/mol
LogP4.45
Rot. Bonds10

About 1-[(4-methoxyphenyl)methyl-[(3-methylphenyl)methyl]amino]-3-phenoxypropan-2-ol

1-[(4-methoxyphenyl)methyl-[(3-methylphenyl)methyl]amino]-3-phenoxypropan-2-ol (PubChem CID 24717291) has the molecular formula C25H29NO3 and a molecular weight of 391.51 g/mol. Its IUPAC name is 1-[(4-methoxyphenyl)methyl-[(3-methylphenyl)methyl]amino]-3-phenoxypropan-2-ol.

Molecular Properties

Compound Name1-[(4-methoxyphenyl)methyl-[(3-methylphenyl)methyl]amino]-3-phenoxypropan-2-ol
PubChem CID24717291
Molecular FormulaC25H29NO3
Molecular Weight391.51 g/mol
Exact Mass391.21
IUPAC Name1-[(4-methoxyphenyl)methyl-[(3-methylphenyl)methyl]amino]-3-phenoxypropan-2-ol
SMILESCOc1ccc(CN(Cc2cccc(C)c2)CC(O)COc2ccccc2)cc1
InChIInChI=1S/C25H29NO3/c1-20-7-6-8-22(15-20)17-26(16-21-11-13-24(28-2)14-12-21)18-23(27)19-29-25-9-4-3-5-10-25/h3-15,23,27H,16-19H2,1-2H3
InChIKeyDCAYITVLPXMSJX-UHFFFAOYSA-N
XLogP4.45
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.51
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(dibenzylamino)-3-(3-methylphenoxy)propan-2-ol
CID 2916434
(2S)-1-(4-methoxyphenoxy)-3-[3-methylbutyl-[(3-methylphenyl)methyl]amino]propan-2-ol
CID 93163150
1-[benzyl-[2-hydroxy-3-(4-methoxyphenoxy)propyl]amino]-3-(4-methoxyphenoxy)propan-2-ol
CID 132585802
(2R)-1-[2-methoxyethyl-[(3-methylphenyl)methyl]amino]-3-phenoxypropan-2-ol
CID 93162983
(2R)-1-[3-methylbutyl-[(3-methylphenyl)methyl]amino]-3-phenoxypropan-2-ol
CID 93163124
1-[benzyl-[(3,4-dimethoxyphenyl)methyl]amino]-3-phenoxypropan-2-ol
CID 46006860
2-[(4-methoxyphenyl)methyl-[(3-methylphenyl)methyl]amino]-1-phenylethanol
CID 46006776
(2S)-1-[(4-methoxyphenyl)methyl-propylamino]-3-phenoxypropan-2-ol
CID 93160592
1-[(4-methoxyphenyl)methyl-propylamino]-3-phenoxypropan-2-ol
CID 24717288
(2S)-1-[(4-methoxyphenyl)methyl-(2-methylpropyl)amino]-3-phenoxypropan-2-ol
CID 93160526
1-[benzyl-[2-hydroxy-3-(3-methoxyphenoxy)propyl]amino]-3-(3-methoxyphenoxy)propan-2-ol
CID 132585804
(2S)-1-(4-methoxyphenoxy)-3-[(3-methoxyphenyl)methyl-(3-methylbutyl)amino]propan-2-ol
CID 93162938

Frequently Asked Questions

What is the IUPAC name of 1-[(4-methoxyphenyl)methyl-[(3-methylphenyl)methyl]amino]-3-phenoxypropan-2-ol?
The IUPAC name of 1-[(4-methoxyphenyl)methyl-[(3-methylphenyl)methyl]amino]-3-phenoxypropan-2-ol (CID 24717291) is 1-[(4-methoxyphenyl)methyl-[(3-methylphenyl)methyl]amino]-3-phenoxypropan-2-ol.
What is the SMILES notation for 1-[(4-methoxyphenyl)methyl-[(3-methylphenyl)methyl]amino]-3-phenoxypropan-2-ol?
The canonical SMILES for 1-[(4-methoxyphenyl)methyl-[(3-methylphenyl)methyl]amino]-3-phenoxypropan-2-ol is COc1ccc(CN(Cc2cccc(C)c2)CC(O)COc2ccccc2)cc1.
What is the InChIKey of 1-[(4-methoxyphenyl)methyl-[(3-methylphenyl)methyl]amino]-3-phenoxypropan-2-ol?
The InChIKey is DCAYITVLPXMSJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29NO3/c1-20-7-6-8-22(15-20)17-26(16-21-11-13-24(28-2)14-12-21)18-23(27)19-29-25-9-4-3-5-10-25/h3-15,23,27H,16-19H2,1-2H3.
What are the key properties of 1-[(4-methoxyphenyl)methyl-[(3-methylphenyl)methyl]amino]-3-phenoxypropan-2-ol?
1-[(4-methoxyphenyl)methyl-[(3-methylphenyl)methyl]amino]-3-phenoxypropan-2-ol has a molecular weight of 391.51 g/mol, XLogP of 4.45, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-methoxyphenyl)methyl-[(3-methylphenyl)methyl]amino]-3-phenoxypropan-2-ol is sourced from PubChem (CID 24717291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).