2-(methylamino)-1-phenylethanol

C9H13NO — CID 913

IUPAC2-(methylamino)-1-phenylethanol
SMILESCNCC(O)c1ccccc1
InChIInChI=1S/C9H13NO/c1-10-7-9(11)8-5-3-2-4-6-8/h2-6,9-11H,7H2,1H3
InChIKeyZCTYHONEGJTYQV-UHFFFAOYSA-N
MW151.21 g/mol
LogP0.94
Rot. Bonds3

About 2-(methylamino)-1-phenylethanol

2-(methylamino)-1-phenylethanol (PubChem CID 913) has the molecular formula C9H13NO and a molecular weight of 151.21 g/mol. Its IUPAC name is 2-(methylamino)-1-phenylethanol.

Molecular Properties

Compound Name2-(methylamino)-1-phenylethanol
PubChem CID913
Molecular FormulaC9H13NO
Molecular Weight151.21 g/mol
Exact Mass151.10
IUPAC Name2-(methylamino)-1-phenylethanol
SMILESCNCC(O)c1ccccc1
InChIInChI=1S/C9H13NO/c1-10-7-9(11)8-5-3-2-4-6-8/h2-6,9-11H,7H2,1H3
InChIKeyZCTYHONEGJTYQV-UHFFFAOYSA-N
XLogP0.94
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.21
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(methylamino)-1-phenylethanol?
The IUPAC name of 2-(methylamino)-1-phenylethanol (CID 913) is 2-(methylamino)-1-phenylethanol.
What is the SMILES notation for 2-(methylamino)-1-phenylethanol?
The canonical SMILES for 2-(methylamino)-1-phenylethanol is CNCC(O)c1ccccc1.
What is the InChIKey of 2-(methylamino)-1-phenylethanol?
The InChIKey is ZCTYHONEGJTYQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO/c1-10-7-9(11)8-5-3-2-4-6-8/h2-6,9-11H,7H2,1H3.
What are the key properties of 2-(methylamino)-1-phenylethanol?
2-(methylamino)-1-phenylethanol has a molecular weight of 151.21 g/mol, XLogP of 0.94, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylamino)-1-phenylethanol is sourced from PubChem (CID 913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).