acetic acid;2-(2,3-dimethylphenyl)propan-2-amine

C13H21NO2 — CID 173060672

IUPACacetic acid;2-(2,3-dimethylphenyl)propan-2-amine
SMILESCC(=O)O.Cc1cccc(C(C)(C)N)c1C
InChIInChI=1S/C11H17N.C2H4O2/c1-8-6-5-7-10(9(8)2)11(3,4)12;1-2(3)4/h5-7H,12H2,1-4H3;1H3,(H,3,4)
InChIKeyZGFAOLWBZADSGA-UHFFFAOYSA-N
MW223.32 g/mol
LogP2.59
Rot. Bonds1

About acetic acid;2-(2,3-dimethylphenyl)propan-2-amine

acetic acid;2-(2,3-dimethylphenyl)propan-2-amine (PubChem CID 173060672) has the molecular formula C13H21NO2 and a molecular weight of 223.32 g/mol. Its IUPAC name is acetic acid;2-(2,3-dimethylphenyl)propan-2-amine.

Molecular Properties

Compound Nameacetic acid;2-(2,3-dimethylphenyl)propan-2-amine
PubChem CID173060672
Molecular FormulaC13H21NO2
Molecular Weight223.32 g/mol
Exact Mass223.16
IUPAC Nameacetic acid;2-(2,3-dimethylphenyl)propan-2-amine
SMILESCC(=O)O.Cc1cccc(C(C)(C)N)c1C
InChIInChI=1S/C11H17N.C2H4O2/c1-8-6-5-7-10(9(8)2)11(3,4)12;1-2(3)4/h5-7H,12H2,1-4H3;1H3,(H,3,4)
InChIKeyZGFAOLWBZADSGA-UHFFFAOYSA-N
XLogP2.59
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,3-dimethylphenyl)propan-2-amine;ethane
CID 170725770
2-chloroacetic acid;2-(2-methylphenyl)propan-2-amine
CID 173188958
1-cyclopropyl-1-(2,3-dimethylphenyl)ethanamine
CID 114997792
acetyl 2,2-bis(2,3-dimethylphenyl)-2-hydroxyacetate
CID 54419247
2-[2-(2-aminopropan-2-yl)-3-methylphenyl]propan-2-amine
CID 70406014
2-(2,3-dimethylphenyl)-3-methylbutan-2-ol
CID 62549372
2-(2,3-dimethylphenyl)-2-hydroxypropanal
CID 66040528
acetic acid;2,3-dimethylbenzenesulfonic acid;hydrate
CID 175193876
azanium 3-(2,3-dimethylphenyl)-3-methylbutanoate
CID 170551800
2-amino-2-(2,3-dimethylphenyl)-3-(2-methylprop-1-enyl)-1,4-diphenylbutane-1,4-dione
CID 141115376
N-[2-(2-aminopropan-2-yl)-6-hydroxyphenyl]acetamide
CID 117297770
2-(2,3-dimethylphenyl)-1,1,1-trifluoropropan-2-ol
CID 58543603

Frequently Asked Questions

What is the IUPAC name of acetic acid;2-(2,3-dimethylphenyl)propan-2-amine?
The IUPAC name of acetic acid;2-(2,3-dimethylphenyl)propan-2-amine (CID 173060672) is acetic acid;2-(2,3-dimethylphenyl)propan-2-amine.
What is the SMILES notation for acetic acid;2-(2,3-dimethylphenyl)propan-2-amine?
The canonical SMILES for acetic acid;2-(2,3-dimethylphenyl)propan-2-amine is CC(=O)O.Cc1cccc(C(C)(C)N)c1C.
What is the InChIKey of acetic acid;2-(2,3-dimethylphenyl)propan-2-amine?
The InChIKey is ZGFAOLWBZADSGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N.C2H4O2/c1-8-6-5-7-10(9(8)2)11(3,4)12;1-2(3)4/h5-7H,12H2,1-4H3;1H3,(H,3,4).
What are the key properties of acetic acid;2-(2,3-dimethylphenyl)propan-2-amine?
acetic acid;2-(2,3-dimethylphenyl)propan-2-amine has a molecular weight of 223.32 g/mol, XLogP of 2.59, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;2-(2,3-dimethylphenyl)propan-2-amine is sourced from PubChem (CID 173060672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).