1-[2-methoxyethyl-[(2-methylphenyl)methyl]amino]-3-phenylpropan-2-ol

C20H27NO2 — CID 24713590

IUPAC1-[2-methoxyethyl-[(2-methylphenyl)methyl]amino]-3-phenylpropan-2-ol
SMILESCOCCN(Cc1ccccc1C)CC(O)Cc1ccccc1
InChIInChI=1S/C20H27NO2/c1-17-8-6-7-11-19(17)15-21(12-13-23-2)16-20(22)14-18-9-4-3-5-10-18/h3-11,20,22H,12-16H2,1-2H3
InChIKeyMDZUZGMHECBGGL-UHFFFAOYSA-N
MW313.44 g/mol
LogP3.05
Rot. Bonds9

About 1-[2-methoxyethyl-[(2-methylphenyl)methyl]amino]-3-phenylpropan-2-ol

1-[2-methoxyethyl-[(2-methylphenyl)methyl]amino]-3-phenylpropan-2-ol (PubChem CID 24713590) has the molecular formula C20H27NO2 and a molecular weight of 313.44 g/mol. Its IUPAC name is 1-[2-methoxyethyl-[(2-methylphenyl)methyl]amino]-3-phenylpropan-2-ol.

Molecular Properties

Compound Name1-[2-methoxyethyl-[(2-methylphenyl)methyl]amino]-3-phenylpropan-2-ol
PubChem CID24713590
Molecular FormulaC20H27NO2
Molecular Weight313.44 g/mol
Exact Mass313.20
IUPAC Name1-[2-methoxyethyl-[(2-methylphenyl)methyl]amino]-3-phenylpropan-2-ol
SMILESCOCCN(Cc1ccccc1C)CC(O)Cc1ccccc1
InChIInChI=1S/C20H27NO2/c1-17-8-6-7-11-19(17)15-21(12-13-23-2)16-20(22)14-18-9-4-3-5-10-18/h3-11,20,22H,12-16H2,1-2H3
InChIKeyMDZUZGMHECBGGL-UHFFFAOYSA-N
XLogP3.05
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.44
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[2-methoxyethyl-[(2-methylphenyl)methyl]amino]-3-phenylpropan-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-[3-methoxypropyl-[(2-methylphenyl)methyl]amino]-3-phenylpropan-2-ol
CID 24717320
(2R)-1-[(3,4-dimethoxyphenyl)methyl-(2-methoxyethyl)amino]-3-phenylpropan-2-ol
CID 93160858
[(2S)-2-hydroxy-3-[2-methoxyethyl-[(2-methylphenyl)methyl]amino]propyl] butanoate
CID 93162735
1-[benzyl(2-methoxyethyl)amino]pentan-2-ol
CID 24713640
1-[benzyl(2-methoxyethyl)amino]-3-prop-2-enoxypropan-2-ol
CID 42836990
(2R)-1-[3-methoxypropyl-[(2-methylphenyl)methyl]amino]-3-prop-2-ynoxypropan-2-ol
CID 93162755
1-[(2-methylphenyl)methyl-propylamino]-3-phenoxypropan-2-ol
CID 24717323
(2R)-1-[(2-methylphenyl)methyl-propylamino]-3-phenoxypropan-2-ol
CID 93162759
(2S)-1-[benzyl-[(2-methylphenyl)methyl]amino]-3-phenylmethoxypropan-2-ol
CID 93164962
(2S)-1-[[1-[(3-fluorophenyl)methyl]pyrrol-2-yl]methyl-(2-methoxyethyl)amino]-3-phenylpropan-2-ol
CID 7495557
1-[2-methoxyethyl-[[1-[(2-methylphenyl)methyl]pyrrol-2-yl]methyl]amino]pentan-2-ol
CID 42794861
(2S)-1-[benzyl-[(2-methylphenyl)methyl]amino]hex-5-en-2-ol
CID 93164977

Frequently Asked Questions

What is the IUPAC name of 1-[2-methoxyethyl-[(2-methylphenyl)methyl]amino]-3-phenylpropan-2-ol?
The IUPAC name of 1-[2-methoxyethyl-[(2-methylphenyl)methyl]amino]-3-phenylpropan-2-ol (CID 24713590) is 1-[2-methoxyethyl-[(2-methylphenyl)methyl]amino]-3-phenylpropan-2-ol.
What is the SMILES notation for 1-[2-methoxyethyl-[(2-methylphenyl)methyl]amino]-3-phenylpropan-2-ol?
The canonical SMILES for 1-[2-methoxyethyl-[(2-methylphenyl)methyl]amino]-3-phenylpropan-2-ol is COCCN(Cc1ccccc1C)CC(O)Cc1ccccc1.
What is the InChIKey of 1-[2-methoxyethyl-[(2-methylphenyl)methyl]amino]-3-phenylpropan-2-ol?
The InChIKey is MDZUZGMHECBGGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27NO2/c1-17-8-6-7-11-19(17)15-21(12-13-23-2)16-20(22)14-18-9-4-3-5-10-18/h3-11,20,22H,12-16H2,1-2H3.
What are the key properties of 1-[2-methoxyethyl-[(2-methylphenyl)methyl]amino]-3-phenylpropan-2-ol?
1-[2-methoxyethyl-[(2-methylphenyl)methyl]amino]-3-phenylpropan-2-ol has a molecular weight of 313.44 g/mol, XLogP of 3.05, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-methoxyethyl-[(2-methylphenyl)methyl]amino]-3-phenylpropan-2-ol is sourced from PubChem (CID 24713590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).