(2R)-1-(2,5-dimethoxy-4-methylphenyl)propan-2-amine

C12H19NO2 — CID 11735949

IUPAC(2R)-1-(2,5-dimethoxy-4-methylphenyl)propan-2-amine
SMILESCOc1cc(C[C@@H](C)N)c(OC)cc1C
InChIInChI=1S/C12H19NO2/c1-8-5-12(15-4)10(6-9(2)13)7-11(8)14-3/h5,7,9H,6,13H2,1-4H3/t9-/m1/s1
InChIKeyNTJQREUGJKIARY-SECBINFHSA-N
MW209.29 g/mol
LogP1.90
Rot. Bonds4

About (2R)-1-(2,5-dimethoxy-4-methylphenyl)propan-2-amine

(2R)-1-(2,5-dimethoxy-4-methylphenyl)propan-2-amine (PubChem CID 11735949) has the molecular formula C12H19NO2 and a molecular weight of 209.29 g/mol. Its IUPAC name is (2R)-1-(2,5-dimethoxy-4-methylphenyl)propan-2-amine.

Molecular Properties

Compound Name(2R)-1-(2,5-dimethoxy-4-methylphenyl)propan-2-amine
PubChem CID11735949
Molecular FormulaC12H19NO2
Molecular Weight209.29 g/mol
Exact Mass209.14
IUPAC Name(2R)-1-(2,5-dimethoxy-4-methylphenyl)propan-2-amine
SMILESCOc1cc(C[C@@H](C)N)c(OC)cc1C
InChIInChI=1S/C12H19NO2/c1-8-5-12(15-4)10(6-9(2)13)7-11(8)14-3/h5,7,9H,6,13H2,1-4H3/t9-/m1/s1
InChIKeyNTJQREUGJKIARY-SECBINFHSA-N
XLogP1.90
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2R)-1-(2,5-dimethoxy-4-methylphenyl)propan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(2,5-dimethoxy-4-methylphenyl)propan-2-amine?
The IUPAC name of (2R)-1-(2,5-dimethoxy-4-methylphenyl)propan-2-amine (CID 11735949) is (2R)-1-(2,5-dimethoxy-4-methylphenyl)propan-2-amine.
What is the SMILES notation for (2R)-1-(2,5-dimethoxy-4-methylphenyl)propan-2-amine?
The canonical SMILES for (2R)-1-(2,5-dimethoxy-4-methylphenyl)propan-2-amine is COc1cc(C[C@@H](C)N)c(OC)cc1C.
What is the InChIKey of (2R)-1-(2,5-dimethoxy-4-methylphenyl)propan-2-amine?
The InChIKey is NTJQREUGJKIARY-SECBINFHSA-N. The full InChI is InChI=1S/C12H19NO2/c1-8-5-12(15-4)10(6-9(2)13)7-11(8)14-3/h5,7,9H,6,13H2,1-4H3/t9-/m1/s1.
What are the key properties of (2R)-1-(2,5-dimethoxy-4-methylphenyl)propan-2-amine?
(2R)-1-(2,5-dimethoxy-4-methylphenyl)propan-2-amine has a molecular weight of 209.29 g/mol, XLogP of 1.90, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(2,5-dimethoxy-4-methylphenyl)propan-2-amine is sourced from PubChem (CID 11735949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).