2-[(3-ethoxyphenyl)methylamino]-2-phenylpropan-1-ol

C18H23NO2 — CID 115630491

IUPAC2-[(3-ethoxyphenyl)methylamino]-2-phenylpropan-1-ol
SMILESCCOc1cccc(CNC(C)(CO)c2ccccc2)c1
InChIInChI=1S/C18H23NO2/c1-3-21-17-11-7-8-15(12-17)13-19-18(2,14-20)16-9-5-4-6-10-16/h4-12,19-20H,3,13-14H2,1-2H3
InChIKeyXFGISCHNPBJKMH-UHFFFAOYSA-N
MW285.39 g/mol
LogP3.08
Rot. Bonds7

About 2-[(3-ethoxyphenyl)methylamino]-2-phenylpropan-1-ol

2-[(3-ethoxyphenyl)methylamino]-2-phenylpropan-1-ol (PubChem CID 115630491) has the molecular formula C18H23NO2 and a molecular weight of 285.39 g/mol. Its IUPAC name is 2-[(3-ethoxyphenyl)methylamino]-2-phenylpropan-1-ol.

Molecular Properties

Compound Name2-[(3-ethoxyphenyl)methylamino]-2-phenylpropan-1-ol
PubChem CID115630491
Molecular FormulaC18H23NO2
Molecular Weight285.39 g/mol
Exact Mass285.17
IUPAC Name2-[(3-ethoxyphenyl)methylamino]-2-phenylpropan-1-ol
SMILESCCOc1cccc(CNC(C)(CO)c2ccccc2)c1
InChIInChI=1S/C18H23NO2/c1-3-21-17-11-7-8-15(12-17)13-19-18(2,14-20)16-9-5-4-6-10-16/h4-12,19-20H,3,13-14H2,1-2H3
InChIKeyXFGISCHNPBJKMH-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

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Related Compounds

N-[(3-ethoxyphenyl)methyl]-2-methyl-2-phenylpropan-1-amine
CID 60957806
2-[(3-cyclopropylphenyl)methylamino]-2-phenylpropan-1-ol
CID 105057814
3-[(3-ethoxyphenyl)methylamino]-2-methylpropane-1,2-diol
CID 66168780
2-methyl-N-[(3-phenylmethoxyphenyl)methyl]propan-2-amine
CID 4721452
2-bromo-4-[[(1-hydroxy-2-phenylpropan-2-yl)amino]methyl]phenol
CID 105057826
2-(hydroxymethyl)-2-[(3-propoxyphenyl)methylamino]propane-1,3-diol
CID 107850468
2-(4-ethoxyphenyl)-2-(ethylamino)propan-1-ol
CID 61050322
1-(3-ethoxyphenyl)-1-phenylethanol
CID 58452058
2-[(3-ethoxyphenyl)methylamino]-2-phenylethanol
CID 63182690
4-[(3-ethoxyphenyl)methylamino]benzoic acid
CID 39369985
1-(3-ethoxyphenyl)-N-phenylmethoxymethanamine
CID 82708969
2-methyl-N-[(3-phenylmethoxyphenyl)methyl]butan-2-amine;hydrochloride
CID 17210800

Frequently Asked Questions

What is the IUPAC name of 2-[(3-ethoxyphenyl)methylamino]-2-phenylpropan-1-ol?
The IUPAC name of 2-[(3-ethoxyphenyl)methylamino]-2-phenylpropan-1-ol (CID 115630491) is 2-[(3-ethoxyphenyl)methylamino]-2-phenylpropan-1-ol.
What is the SMILES notation for 2-[(3-ethoxyphenyl)methylamino]-2-phenylpropan-1-ol?
The canonical SMILES for 2-[(3-ethoxyphenyl)methylamino]-2-phenylpropan-1-ol is CCOc1cccc(CNC(C)(CO)c2ccccc2)c1.
What is the InChIKey of 2-[(3-ethoxyphenyl)methylamino]-2-phenylpropan-1-ol?
The InChIKey is XFGISCHNPBJKMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO2/c1-3-21-17-11-7-8-15(12-17)13-19-18(2,14-20)16-9-5-4-6-10-16/h4-12,19-20H,3,13-14H2,1-2H3.
What are the key properties of 2-[(3-ethoxyphenyl)methylamino]-2-phenylpropan-1-ol?
2-[(3-ethoxyphenyl)methylamino]-2-phenylpropan-1-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 2-[(3-ethoxyphenyl)methylamino]-2-phenylpropan-1-ol is sourced from PubChem (CID 115630491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).