1-[(4-ethoxyphenyl)methylamino]-2-phenylpropan-2-ol

C18H23NO2 — CID 111121689

IUPAC1-[(4-ethoxyphenyl)methylamino]-2-phenylpropan-2-ol
SMILESCCOc1ccc(CNCC(C)(O)c2ccccc2)cc1
InChIInChI=1S/C18H23NO2/c1-3-21-17-11-9-15(10-12-17)13-19-14-18(2,20)16-7-5-4-6-8-16/h4-12,19-20H,3,13-14H2,1-2H3
InChIKeyTVBKMLJNECBFOY-UHFFFAOYSA-N
MW285.39 g/mol
LogP3.08
Rot. Bonds7

About 1-[(4-ethoxyphenyl)methylamino]-2-phenylpropan-2-ol

1-[(4-ethoxyphenyl)methylamino]-2-phenylpropan-2-ol (PubChem CID 111121689) has the molecular formula C18H23NO2 and a molecular weight of 285.39 g/mol. Its IUPAC name is 1-[(4-ethoxyphenyl)methylamino]-2-phenylpropan-2-ol.

Molecular Properties

Compound Name1-[(4-ethoxyphenyl)methylamino]-2-phenylpropan-2-ol
PubChem CID111121689
Molecular FormulaC18H23NO2
Molecular Weight285.39 g/mol
Exact Mass285.17
IUPAC Name1-[(4-ethoxyphenyl)methylamino]-2-phenylpropan-2-ol
SMILESCCOc1ccc(CNCC(C)(O)c2ccccc2)cc1
InChIInChI=1S/C18H23NO2/c1-3-21-17-11-9-15(10-12-17)13-19-14-18(2,20)16-7-5-4-6-8-16/h4-12,19-20H,3,13-14H2,1-2H3
InChIKeyTVBKMLJNECBFOY-UHFFFAOYSA-N
XLogP3.08
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 ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[(4-ethoxyphenyl)methylamino]-2-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

2-phenyl-1-[[4-(pyridin-4-ylmethoxy)phenyl]methylamino]propan-2-ol
CID 111334298
3-[(4-ethoxyphenyl)methylamino]-2,2-dimethylpropanoic acid
CID 115136553
1-(4-ethoxyphenyl)-N-[(4-ethoxyphenyl)methyl]methanamine;hydrochloride
CID 170995213
1-(tert-butylamino)-2-(4-ethoxyphenyl)propan-2-ol
CID 62773212
2-(4-ethoxyphenyl)-1-(methylamino)propan-2-ol
CID 62772806
5-[(4-ethoxyphenyl)methylamino]-4,4-dimethylpentan-1-ol
CID 103897750
N-[(3-ethoxyphenyl)methyl]-2-methyl-2-phenylpropan-1-amine
CID 60957806
4-[[(4-ethoxyphenyl)methylamino]methyl]benzoic acid;hydrochloride
CID 6458588
ethane;N-[(4-ethoxyphenyl)methyl]-2,2,4,4,5-pentamethylhexan-1-amine
CID 164535785
2-[(4-ethoxyphenyl)methylamino]-1-phenylethanol;hydrochloride
CID 6461573
2-phenyl-1-(pyridin-2-ylmethylamino)propan-2-ol
CID 62373506
N-(bromomethyl)-1-(4-ethoxyphenyl)methanamine
CID 115261867

Frequently Asked Questions

What is the IUPAC name of 1-[(4-ethoxyphenyl)methylamino]-2-phenylpropan-2-ol?
The IUPAC name of 1-[(4-ethoxyphenyl)methylamino]-2-phenylpropan-2-ol (CID 111121689) is 1-[(4-ethoxyphenyl)methylamino]-2-phenylpropan-2-ol.
What is the SMILES notation for 1-[(4-ethoxyphenyl)methylamino]-2-phenylpropan-2-ol?
The canonical SMILES for 1-[(4-ethoxyphenyl)methylamino]-2-phenylpropan-2-ol is CCOc1ccc(CNCC(C)(O)c2ccccc2)cc1.
What is the InChIKey of 1-[(4-ethoxyphenyl)methylamino]-2-phenylpropan-2-ol?
The InChIKey is TVBKMLJNECBFOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO2/c1-3-21-17-11-9-15(10-12-17)13-19-14-18(2,20)16-7-5-4-6-8-16/h4-12,19-20H,3,13-14H2,1-2H3.
What are the key properties of 1-[(4-ethoxyphenyl)methylamino]-2-phenylpropan-2-ol?
1-[(4-ethoxyphenyl)methylamino]-2-phenylpropan-2-ol has a molecular weight of 285.39 g/mol, XLogP of 3.08, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-ethoxyphenyl)methylamino]-2-phenylpropan-2-ol is sourced from PubChem (CID 111121689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).