2-(2,3-dimethylphenyl)propan-2-amine;ethane

C13H23N — CID 170725770

IUPAC2-(2,3-dimethylphenyl)propan-2-amine;ethane
SMILESCC.Cc1cccc(C(C)(C)N)c1C
InChIInChI=1S/C11H17N.C2H6/c1-8-6-5-7-10(9(8)2)11(3,4)12;1-2/h5-7H,12H2,1-4H3;1-2H3
InChIKeyMARRZLLOVMACQI-UHFFFAOYSA-N
MW193.33 g/mol
LogP3.52
Rot. Bonds1

About 2-(2,3-dimethylphenyl)propan-2-amine;ethane

2-(2,3-dimethylphenyl)propan-2-amine;ethane (PubChem CID 170725770) has the molecular formula C13H23N and a molecular weight of 193.33 g/mol. Its IUPAC name is 2-(2,3-dimethylphenyl)propan-2-amine;ethane.

Molecular Properties

Compound Name2-(2,3-dimethylphenyl)propan-2-amine;ethane
PubChem CID170725770
Molecular FormulaC13H23N
Molecular Weight193.33 g/mol
Exact Mass193.18
IUPAC Name2-(2,3-dimethylphenyl)propan-2-amine;ethane
SMILESCC.Cc1cccc(C(C)(C)N)c1C
InChIInChI=1S/C11H17N.C2H6/c1-8-6-5-7-10(9(8)2)11(3,4)12;1-2/h5-7H,12H2,1-4H3;1-2H3
InChIKeyMARRZLLOVMACQI-UHFFFAOYSA-N
XLogP3.52
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.33
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

acetic acid;2-(2,3-dimethylphenyl)propan-2-amine
CID 173060672
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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-(2-aminopropan-2-yl)phenyl]propan-2-amine
CID 21264783
1-tert-butyl-2-(2-tert-butyl-6-methylphenyl)-3-methylbenzene;ethane
CID 157489586
2-(2,3-dimethylphenyl)-N-methylpropan-2-amine
CID 82280621
ethane;1,2,3-trimethylbenzene
CID 54068667
1-tert-butyl-2,3-dimethylbenzene;isocyanic acid
CID 87249720
2-(2,3-dimethylphenyl)-1,1,1-trifluoropropan-2-ol
CID 58543603
2-(2,3-dimethylphenyl)-2-hydroxypropanal
CID 66040528
1-[2-(2,3-dimethylphenyl)propan-2-yl]naphthalene
CID 174418376

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dimethylphenyl)propan-2-amine;ethane?
The IUPAC name of 2-(2,3-dimethylphenyl)propan-2-amine;ethane (CID 170725770) is 2-(2,3-dimethylphenyl)propan-2-amine;ethane.
What is the SMILES notation for 2-(2,3-dimethylphenyl)propan-2-amine;ethane?
The canonical SMILES for 2-(2,3-dimethylphenyl)propan-2-amine;ethane is CC.Cc1cccc(C(C)(C)N)c1C.
What is the InChIKey of 2-(2,3-dimethylphenyl)propan-2-amine;ethane?
The InChIKey is MARRZLLOVMACQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N.C2H6/c1-8-6-5-7-10(9(8)2)11(3,4)12;1-2/h5-7H,12H2,1-4H3;1-2H3.
What are the key properties of 2-(2,3-dimethylphenyl)propan-2-amine;ethane?
2-(2,3-dimethylphenyl)propan-2-amine;ethane has a molecular weight of 193.33 g/mol, XLogP of 3.52, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dimethylphenyl)propan-2-amine;ethane is sourced from PubChem (CID 170725770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).