(1R)-1-phenylethanamine;propan-2-one

C11H17NO — CID 54416751

IUPAC(1R)-1-phenylethanamine;propan-2-one
SMILESCC(C)=O.C[C@@H](N)c1ccccc1
InChIInChI=1S/C8H11N.C3H6O/c1-7(9)8-5-3-2-4-6-8;1-3(2)4/h2-7H,9H2,1H3;1-2H3/t7-;/m1./s1
InChIKeyVXZLQBUOPDLLEJ-OGFXRTJISA-N
MW179.26 g/mol
LogP2.30
Rot. Bonds1

About (1R)-1-phenylethanamine;propan-2-one

(1R)-1-phenylethanamine;propan-2-one (PubChem CID 54416751) has the molecular formula C11H17NO and a molecular weight of 179.26 g/mol. Its IUPAC name is (1R)-1-phenylethanamine;propan-2-one.

Molecular Properties

Compound Name(1R)-1-phenylethanamine;propan-2-one
PubChem CID54416751
Molecular FormulaC11H17NO
Molecular Weight179.26 g/mol
Exact Mass179.13
IUPAC Name(1R)-1-phenylethanamine;propan-2-one
SMILESCC(C)=O.C[C@@H](N)c1ccccc1
InChIInChI=1S/C8H11N.C3H6O/c1-7(9)8-5-3-2-4-6-8;1-3(2)4/h2-7H,9H2,1H3;1-2H3/t7-;/m1./s1
InChIKeyVXZLQBUOPDLLEJ-OGFXRTJISA-N
XLogP2.30
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.26
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

ethane;(1R)-1-phenylethanamine
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CID 68539443
CID 68539443
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CID 88788030
fluorobenzene;2-hydroxyacetic acid;1-phenylethanamine
CID 173397063
(2R)-2-(4-hydroxyphenyl)propanoic acid;(1S)-1-phenylethanamine
CID 162087543
cyclohexanecarboxylic acid;(1R)-1-phenylethanamine
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Frequently Asked Questions

What is the IUPAC name of (1R)-1-phenylethanamine;propan-2-one?
The IUPAC name of (1R)-1-phenylethanamine;propan-2-one (CID 54416751) is (1R)-1-phenylethanamine;propan-2-one.
What is the SMILES notation for (1R)-1-phenylethanamine;propan-2-one?
The canonical SMILES for (1R)-1-phenylethanamine;propan-2-one is CC(C)=O.C[C@@H](N)c1ccccc1.
What is the InChIKey of (1R)-1-phenylethanamine;propan-2-one?
The InChIKey is VXZLQBUOPDLLEJ-OGFXRTJISA-N. The full InChI is InChI=1S/C8H11N.C3H6O/c1-7(9)8-5-3-2-4-6-8;1-3(2)4/h2-7H,9H2,1H3;1-2H3/t7-;/m1./s1.
What are the key properties of (1R)-1-phenylethanamine;propan-2-one?
(1R)-1-phenylethanamine;propan-2-one has a molecular weight of 179.26 g/mol, XLogP of 2.30, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-phenylethanamine;propan-2-one is sourced from PubChem (CID 54416751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).