2-[2-(2-aminopropan-2-yl)-3-methylphenyl]propan-2-amine

C13H22N2 — CID 70406014

IUPAC2-[2-(2-aminopropan-2-yl)-3-methylphenyl]propan-2-amine
SMILESCc1cccc(C(C)(C)N)c1C(C)(C)N
InChIInChI=1S/C13H22N2/c1-9-7-6-8-10(12(2,3)14)11(9)13(4,5)15/h6-8H,14-15H2,1-5H3
InChIKeyDLDGRLPZVVZXKA-UHFFFAOYSA-N
MW206.33 g/mol
LogP2.38
Rot. Bonds2

About 2-[2-(2-aminopropan-2-yl)-3-methylphenyl]propan-2-amine

2-[2-(2-aminopropan-2-yl)-3-methylphenyl]propan-2-amine (PubChem CID 70406014) has the molecular formula C13H22N2 and a molecular weight of 206.33 g/mol. Its IUPAC name is 2-[2-(2-aminopropan-2-yl)-3-methylphenyl]propan-2-amine.

Molecular Properties

Compound Name2-[2-(2-aminopropan-2-yl)-3-methylphenyl]propan-2-amine
PubChem CID70406014
Molecular FormulaC13H22N2
Molecular Weight206.33 g/mol
Exact Mass206.18
IUPAC Name2-[2-(2-aminopropan-2-yl)-3-methylphenyl]propan-2-amine
SMILESCc1cccc(C(C)(C)N)c1C(C)(C)N
InChIInChI=1S/C13H22N2/c1-9-7-6-8-10(12(2,3)14)11(9)13(4,5)15/h6-8H,14-15H2,1-5H3
InChIKeyDLDGRLPZVVZXKA-UHFFFAOYSA-N
XLogP2.38
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.33
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-aminopropan-2-yl)-3-methylphenyl]propan-2-amine?
The IUPAC name of 2-[2-(2-aminopropan-2-yl)-3-methylphenyl]propan-2-amine (CID 70406014) is 2-[2-(2-aminopropan-2-yl)-3-methylphenyl]propan-2-amine.
What is the SMILES notation for 2-[2-(2-aminopropan-2-yl)-3-methylphenyl]propan-2-amine?
The canonical SMILES for 2-[2-(2-aminopropan-2-yl)-3-methylphenyl]propan-2-amine is Cc1cccc(C(C)(C)N)c1C(C)(C)N.
What is the InChIKey of 2-[2-(2-aminopropan-2-yl)-3-methylphenyl]propan-2-amine?
The InChIKey is DLDGRLPZVVZXKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2/c1-9-7-6-8-10(12(2,3)14)11(9)13(4,5)15/h6-8H,14-15H2,1-5H3.
What are the key properties of 2-[2-(2-aminopropan-2-yl)-3-methylphenyl]propan-2-amine?
2-[2-(2-aminopropan-2-yl)-3-methylphenyl]propan-2-amine has a molecular weight of 206.33 g/mol, XLogP of 2.38, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-aminopropan-2-yl)-3-methylphenyl]propan-2-amine is sourced from PubChem (CID 70406014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).