acetic acid;2-methyl-1-phenylpropan-2-amine

C12H19NO2 — CID 22121376

IUPACacetic acid;2-methyl-1-phenylpropan-2-amine
SMILESCC(=O)O.CC(C)(N)Cc1ccccc1
InChIInChI=1S/C10H15N.C2H4O2/c1-10(2,11)8-9-6-4-3-5-7-9;1-2(3)4/h3-7H,8,11H2,1-2H3;1H3,(H,3,4)
InChIKeyQLFAMNJDLUZUOR-UHFFFAOYSA-N
MW209.29 g/mol
LogP2.06
Rot. Bonds2

About acetic acid;2-methyl-1-phenylpropan-2-amine

acetic acid;2-methyl-1-phenylpropan-2-amine (PubChem CID 22121376) has the molecular formula C12H19NO2 and a molecular weight of 209.29 g/mol. Its IUPAC name is acetic acid;2-methyl-1-phenylpropan-2-amine.

Molecular Properties

Compound Nameacetic acid;2-methyl-1-phenylpropan-2-amine
PubChem CID22121376
Molecular FormulaC12H19NO2
Molecular Weight209.29 g/mol
Exact Mass209.14
IUPAC Nameacetic acid;2-methyl-1-phenylpropan-2-amine
SMILESCC(=O)O.CC(C)(N)Cc1ccccc1
InChIInChI=1S/C10H15N.C2H4O2/c1-10(2,11)8-9-6-4-3-5-7-9;1-2(3)4/h3-7H,8,11H2,1-2H3;1H3,(H,3,4)
InChIKeyQLFAMNJDLUZUOR-UHFFFAOYSA-N
XLogP2.06
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of acetic acid;2-methyl-1-phenylpropan-2-amine?
The IUPAC name of acetic acid;2-methyl-1-phenylpropan-2-amine (CID 22121376) is acetic acid;2-methyl-1-phenylpropan-2-amine.
What is the SMILES notation for acetic acid;2-methyl-1-phenylpropan-2-amine?
The canonical SMILES for acetic acid;2-methyl-1-phenylpropan-2-amine is CC(=O)O.CC(C)(N)Cc1ccccc1.
What is the InChIKey of acetic acid;2-methyl-1-phenylpropan-2-amine?
The InChIKey is QLFAMNJDLUZUOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N.C2H4O2/c1-10(2,11)8-9-6-4-3-5-7-9;1-2(3)4/h3-7H,8,11H2,1-2H3;1H3,(H,3,4).
What are the key properties of acetic acid;2-methyl-1-phenylpropan-2-amine?
acetic acid;2-methyl-1-phenylpropan-2-amine has a molecular weight of 209.29 g/mol, XLogP of 2.06, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;2-methyl-1-phenylpropan-2-amine is sourced from PubChem (CID 22121376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).