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

C18H23NO2 — CID 60632285

IUPAC1-(2-methylphenoxy)-3-[(4-methylphenyl)methylamino]propan-2-ol
SMILESCc1ccc(CNCC(O)COc2ccccc2C)cc1
InChIInChI=1S/C18H23NO2/c1-14-7-9-16(10-8-14)11-19-12-17(20)13-21-18-6-4-3-5-15(18)2/h3-10,17,19-20H,11-13H2,1-2H3
InChIKeyQPLPPUNKVGKTSS-UHFFFAOYSA-N
MW285.39 g/mol
LogP2.83
Rot. Bonds7

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

1-(2-methylphenoxy)-3-[(4-methylphenyl)methylamino]propan-2-ol (PubChem CID 60632285) has the molecular formula C18H23NO2 and a molecular weight of 285.39 g/mol. Its IUPAC name is 1-(2-methylphenoxy)-3-[(4-methylphenyl)methylamino]propan-2-ol.

Molecular Properties

Compound Name1-(2-methylphenoxy)-3-[(4-methylphenyl)methylamino]propan-2-ol
PubChem CID60632285
Molecular FormulaC18H23NO2
Molecular Weight285.39 g/mol
Exact Mass285.17
IUPAC Name1-(2-methylphenoxy)-3-[(4-methylphenyl)methylamino]propan-2-ol
SMILESCc1ccc(CNCC(O)COc2ccccc2C)cc1
InChIInChI=1S/C18H23NO2/c1-14-7-9-16(10-8-14)11-19-12-17(20)13-21-18-6-4-3-5-15(18)2/h3-10,17,19-20H,11-13H2,1-2H3
InChIKeyQPLPPUNKVGKTSS-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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(4-fluorophenyl)methylamino]-3-(2-methylphenoxy)propan-2-ol
CID 60632137
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
(2S)-1-[[(2S)-2-hydroxypropyl]amino]-3-(2-methylphenoxy)propan-2-ol
CID 7830763
1-(2-methylphenoxy)-3-(pyridin-2-ylmethylamino)propan-2-ol
CID 60634071
(2S)-1-(benzylamino)-3-(2-ethoxyphenoxy)propan-2-ol
CID 39424747
N-[2-hydroxy-3-(2-methylphenoxy)propyl]-3-(4-methylphenyl)propanamide
CID 84568972
1-(3-methylphenoxy)-3-[(4-methylphenyl)methylamino]propan-2-ol
CID 60632284
1-[(4-methylphenyl)methylamino]-3-phenylmethoxypropan-2-ol
CID 60632327
1-(3-methylbutylamino)-3-(2-methylphenoxy)propan-2-ol
CID 60633605
1-(3-aminopropylamino)-3-(2-methylphenoxy)propan-2-ol
CID 62273853
1-[(2-ethoxy-2-methylpropyl)amino]-3-(2-methylphenoxy)propan-2-ol
CID 114941993

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylphenoxy)-3-[(4-methylphenyl)methylamino]propan-2-ol?
The IUPAC name of 1-(2-methylphenoxy)-3-[(4-methylphenyl)methylamino]propan-2-ol (CID 60632285) is 1-(2-methylphenoxy)-3-[(4-methylphenyl)methylamino]propan-2-ol.
What is the SMILES notation for 1-(2-methylphenoxy)-3-[(4-methylphenyl)methylamino]propan-2-ol?
The canonical SMILES for 1-(2-methylphenoxy)-3-[(4-methylphenyl)methylamino]propan-2-ol is Cc1ccc(CNCC(O)COc2ccccc2C)cc1.
What is the InChIKey of 1-(2-methylphenoxy)-3-[(4-methylphenyl)methylamino]propan-2-ol?
The InChIKey is QPLPPUNKVGKTSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO2/c1-14-7-9-16(10-8-14)11-19-12-17(20)13-21-18-6-4-3-5-15(18)2/h3-10,17,19-20H,11-13H2,1-2H3.
What are the key properties of 1-(2-methylphenoxy)-3-[(4-methylphenyl)methylamino]propan-2-ol?
1-(2-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-(2-methylphenoxy)-3-[(4-methylphenyl)methylamino]propan-2-ol is sourced from PubChem (CID 60632285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).