1-(2,3-dimethylphenyl)propan-2-amine

C11H17N — CID 541869

IUPAC1-(2,3-dimethylphenyl)propan-2-amine
SMILESCc1cccc(CC(C)N)c1C
InChIInChI=1S/C11H17N/c1-8-5-4-6-11(10(8)3)7-9(2)12/h4-6,9H,7,12H2,1-3H3
InChIKeyHOBBTQMIPDOWRL-UHFFFAOYSA-N
MW163.26 g/mol
LogP2.19
Rot. Bonds2

About 1-(2,3-dimethylphenyl)propan-2-amine

1-(2,3-dimethylphenyl)propan-2-amine (PubChem CID 541869) has the molecular formula C11H17N and a molecular weight of 163.26 g/mol. Its IUPAC name is 1-(2,3-dimethylphenyl)propan-2-amine.

Molecular Properties

Compound Name1-(2,3-dimethylphenyl)propan-2-amine
PubChem CID541869
Molecular FormulaC11H17N
Molecular Weight163.26 g/mol
Exact Mass163.14
IUPAC Name1-(2,3-dimethylphenyl)propan-2-amine
SMILESCc1cccc(CC(C)N)c1C
InChIInChI=1S/C11H17N/c1-8-5-4-6-11(10(8)3)7-9(2)12/h4-6,9H,7,12H2,1-3H3
InChIKeyHOBBTQMIPDOWRL-UHFFFAOYSA-N
XLogP2.19
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.26
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dimethylphenyl)propan-2-amine?
The IUPAC name of 1-(2,3-dimethylphenyl)propan-2-amine (CID 541869) is 1-(2,3-dimethylphenyl)propan-2-amine.
What is the SMILES notation for 1-(2,3-dimethylphenyl)propan-2-amine?
The canonical SMILES for 1-(2,3-dimethylphenyl)propan-2-amine is Cc1cccc(CC(C)N)c1C.
What is the InChIKey of 1-(2,3-dimethylphenyl)propan-2-amine?
The InChIKey is HOBBTQMIPDOWRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N/c1-8-5-4-6-11(10(8)3)7-9(2)12/h4-6,9H,7,12H2,1-3H3.
What are the key properties of 1-(2,3-dimethylphenyl)propan-2-amine?
1-(2,3-dimethylphenyl)propan-2-amine has a molecular weight of 163.26 g/mol, XLogP of 2.19, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dimethylphenyl)propan-2-amine is sourced from PubChem (CID 541869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).