2-(methylamino)-1,2-diphenylethanol;2-(methylamino)-1-phenylpropan-1-ol

C25H32N2O2 — CID 161176809

IUPAC2-(methylamino)-1,2-diphenylethanol;2-(methylamino)-1-phenylpropan-1-ol
SMILESCNC(C)C(O)c1ccccc1.CNC(c1ccccc1)C(O)c1ccccc1
InChIInChI=1S/C15H17NO.C10H15NO/c1-16-14(12-8-4-2-5-9-12)15(17)13-10-6-3-7-11-13;1-8(11-2)10(12)9-6-4-3-5-7-9/h2-11,14-17H,1H3;3-8,10-12H,1-2H3
InChIKeyURXOGSUXDOCZHP-UHFFFAOYSA-N
MW392.54 g/mol
LogP4.01
Rot. Bonds7

About 2-(methylamino)-1,2-diphenylethanol;2-(methylamino)-1-phenylpropan-1-ol

2-(methylamino)-1,2-diphenylethanol;2-(methylamino)-1-phenylpropan-1-ol (PubChem CID 161176809) has the molecular formula C25H32N2O2 and a molecular weight of 392.54 g/mol. Its IUPAC name is 2-(methylamino)-1,2-diphenylethanol;2-(methylamino)-1-phenylpropan-1-ol.

Molecular Properties

Compound Name2-(methylamino)-1,2-diphenylethanol;2-(methylamino)-1-phenylpropan-1-ol
PubChem CID161176809
Molecular FormulaC25H32N2O2
Molecular Weight392.54 g/mol
Exact Mass392.25
IUPAC Name2-(methylamino)-1,2-diphenylethanol;2-(methylamino)-1-phenylpropan-1-ol
SMILESCNC(C)C(O)c1ccccc1.CNC(c1ccccc1)C(O)c1ccccc1
InChIInChI=1S/C15H17NO.C10H15NO/c1-16-14(12-8-4-2-5-9-12)15(17)13-10-6-3-7-11-13;1-8(11-2)10(12)9-6-4-3-5-7-9/h2-11,14-17H,1H3;3-8,10-12H,1-2H3
InChIKeyURXOGSUXDOCZHP-UHFFFAOYSA-N
XLogP4.01
TPSA64.52 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.54
LogP ≤ 54.01
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

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Pseudoephedrine Hydrochloride
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Ephedrine Sulfate
CID 5359318
DL-Ephedrine
CID 5032
Pseudoephedrine Sulfate
CID 9802673
DL-Ephedrine hydrochloride
CID 8648
(-)-Pseudoephedrine
CID 62946
d-Ephedrine
CID 9457
(1S,2R)-(+)-2-Amino-1,2-diphenylethanol
CID 719822
Cinnamedrine
CID 5370611

Frequently Asked Questions

What is the IUPAC name of 2-(methylamino)-1,2-diphenylethanol;2-(methylamino)-1-phenylpropan-1-ol?
The IUPAC name of 2-(methylamino)-1,2-diphenylethanol;2-(methylamino)-1-phenylpropan-1-ol (CID 161176809) is 2-(methylamino)-1,2-diphenylethanol;2-(methylamino)-1-phenylpropan-1-ol.
What is the SMILES notation for 2-(methylamino)-1,2-diphenylethanol;2-(methylamino)-1-phenylpropan-1-ol?
The canonical SMILES for 2-(methylamino)-1,2-diphenylethanol;2-(methylamino)-1-phenylpropan-1-ol is CNC(C)C(O)c1ccccc1.CNC(c1ccccc1)C(O)c1ccccc1.
What is the InChIKey of 2-(methylamino)-1,2-diphenylethanol;2-(methylamino)-1-phenylpropan-1-ol?
The InChIKey is URXOGSUXDOCZHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO.C10H15NO/c1-16-14(12-8-4-2-5-9-12)15(17)13-10-6-3-7-11-13;1-8(11-2)10(12)9-6-4-3-5-7-9/h2-11,14-17H,1H3;3-8,10-12H,1-2H3.
What are the key properties of 2-(methylamino)-1,2-diphenylethanol;2-(methylamino)-1-phenylpropan-1-ol?
2-(methylamino)-1,2-diphenylethanol;2-(methylamino)-1-phenylpropan-1-ol has a molecular weight of 392.54 g/mol, XLogP of 4.01, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylamino)-1,2-diphenylethanol;2-(methylamino)-1-phenylpropan-1-ol is sourced from PubChem (CID 161176809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).