1-(3-methylphenoxy)-3-[(4-methylphenyl)methylamino]propan-2-ol

C18H23NO2 — CID 60632284

IUPAC1-(3-methylphenoxy)-3-[(4-methylphenyl)methylamino]propan-2-ol
SMILESCc1ccc(CNCC(O)COc2cccc(C)c2)cc1
InChIInChI=1S/C18H23NO2/c1-14-6-8-16(9-7-14)11-19-12-17(20)13-21-18-5-3-4-15(2)10-18/h3-10,17,19-20H,11-13H2,1-2H3
InChIKeyVSKGDBZBRGUOJD-UHFFFAOYSA-N
MW285.39 g/mol
LogP2.83
Rot. Bonds7

About 1-(3-methylphenoxy)-3-[(4-methylphenyl)methylamino]propan-2-ol

1-(3-methylphenoxy)-3-[(4-methylphenyl)methylamino]propan-2-ol (PubChem CID 60632284) has the molecular formula C18H23NO2 and a molecular weight of 285.39 g/mol. Its IUPAC name is 1-(3-methylphenoxy)-3-[(4-methylphenyl)methylamino]propan-2-ol.

Molecular Properties

Compound Name1-(3-methylphenoxy)-3-[(4-methylphenyl)methylamino]propan-2-ol
PubChem CID60632284
Molecular FormulaC18H23NO2
Molecular Weight285.39 g/mol
Exact Mass285.17
IUPAC Name1-(3-methylphenoxy)-3-[(4-methylphenyl)methylamino]propan-2-ol
SMILESCc1ccc(CNCC(O)COc2cccc(C)c2)cc1
InChIInChI=1S/C18H23NO2/c1-14-6-8-16(9-7-14)11-19-12-17(20)13-21-18-5-3-4-15(2)10-18/h3-10,17,19-20H,11-13H2,1-2H3
InChIKeyVSKGDBZBRGUOJD-UHFFFAOYSA-N
XLogP2.83
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[[4-(dimethylamino)phenyl]methylamino]-3-(3-methylphenoxy)propan-2-ol
CID 110906230
1-[(4-methylphenyl)methylamino]-3-phenoxypropan-2-ol
CID 54856606
1-[4-[2-hydroxy-3-[(4-methylphenyl)methylamino]propoxy]phenoxy]-3-[(4-methylphenyl)methylamino]propan-2-ol
CID 19133404
N-[4-[[[2-hydroxy-3-(3-methylphenoxy)propyl]amino]methyl]phenyl]methanesulfonamide
CID 14739889
1-(3-methylphenoxy)-3-(2-methylpropylamino)propan-2-ol
CID 4728846
1-[(2,5-difluorophenyl)methylamino]-3-(3-methylphenoxy)propan-2-ol
CID 110906225
1-(4-fluorophenoxy)-3-[(3-methylphenyl)methylamino]propan-2-ol
CID 60729279
3-ethyl-1-[[2-hydroxy-3-(3-methylphenoxy)propyl]amino]pentan-2-ol
CID 106285812
2-[[2-hydroxy-3-(3-methylphenoxy)propyl]amino]acetamide
CID 60902288
1-[(2,4-dimethyl-1,3-thiazol-5-yl)methylamino]-3-(3-methylphenoxy)propan-2-ol
CID 111434675
1-(2-methylphenoxy)-3-[(4-methylphenyl)methylamino]propan-2-ol
CID 60632285
1-benzyl-3-[2-hydroxy-3-(3-methylphenoxy)propyl]urea
CID 110904579

Frequently Asked Questions

What is the IUPAC name of 1-(3-methylphenoxy)-3-[(4-methylphenyl)methylamino]propan-2-ol?
The IUPAC name of 1-(3-methylphenoxy)-3-[(4-methylphenyl)methylamino]propan-2-ol (CID 60632284) is 1-(3-methylphenoxy)-3-[(4-methylphenyl)methylamino]propan-2-ol.
What is the SMILES notation for 1-(3-methylphenoxy)-3-[(4-methylphenyl)methylamino]propan-2-ol?
The canonical SMILES for 1-(3-methylphenoxy)-3-[(4-methylphenyl)methylamino]propan-2-ol is Cc1ccc(CNCC(O)COc2cccc(C)c2)cc1.
What is the InChIKey of 1-(3-methylphenoxy)-3-[(4-methylphenyl)methylamino]propan-2-ol?
The InChIKey is VSKGDBZBRGUOJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO2/c1-14-6-8-16(9-7-14)11-19-12-17(20)13-21-18-5-3-4-15(2)10-18/h3-10,17,19-20H,11-13H2,1-2H3.
What are the key properties of 1-(3-methylphenoxy)-3-[(4-methylphenyl)methylamino]propan-2-ol?
1-(3-methylphenoxy)-3-[(4-methylphenyl)methylamino]propan-2-ol has a molecular weight of 285.39 g/mol, XLogP of 2.83, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylphenoxy)-3-[(4-methylphenyl)methylamino]propan-2-ol is sourced from PubChem (CID 60632284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).