(2S)-1-methoxy-N-[(2,4,5-trimethylphenyl)methyl]propan-2-amine

C14H23NO — CID 93026373

IUPAC(2S)-1-methoxy-N-[(2,4,5-trimethylphenyl)methyl]propan-2-amine
SMILESCOC[C@H](C)NCc1cc(C)c(C)cc1C
InChIInChI=1S/C14H23NO/c1-10-6-12(3)14(7-11(10)2)8-15-13(4)9-16-5/h6-7,13,15H,8-9H2,1-5H3/t13-/m0/s1
InChIKeyODMHGYGRWROYIX-ZDUSSCGKSA-N
MW221.34 g/mol
LogP2.74
Rot. Bonds5

About (2S)-1-methoxy-N-[(2,4,5-trimethylphenyl)methyl]propan-2-amine

(2S)-1-methoxy-N-[(2,4,5-trimethylphenyl)methyl]propan-2-amine (PubChem CID 93026373) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is (2S)-1-methoxy-N-[(2,4,5-trimethylphenyl)methyl]propan-2-amine.

Molecular Properties

Compound Name(2S)-1-methoxy-N-[(2,4,5-trimethylphenyl)methyl]propan-2-amine
PubChem CID93026373
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC Name(2S)-1-methoxy-N-[(2,4,5-trimethylphenyl)methyl]propan-2-amine
SMILESCOC[C@H](C)NCc1cc(C)c(C)cc1C
InChIInChI=1S/C14H23NO/c1-10-6-12(3)14(7-11(10)2)8-15-13(4)9-16-5/h6-7,13,15H,8-9H2,1-5H3/t13-/m0/s1
InChIKeyODMHGYGRWROYIX-ZDUSSCGKSA-N
XLogP2.74
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.34
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (2S)-1-methoxy-N-[(2,4,5-trimethylphenyl)methyl]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 (2S)-1-methoxy-N-[(2,4,5-trimethylphenyl)methyl]propan-2-amine?
The IUPAC name of (2S)-1-methoxy-N-[(2,4,5-trimethylphenyl)methyl]propan-2-amine (CID 93026373) is (2S)-1-methoxy-N-[(2,4,5-trimethylphenyl)methyl]propan-2-amine.
What is the SMILES notation for (2S)-1-methoxy-N-[(2,4,5-trimethylphenyl)methyl]propan-2-amine?
The canonical SMILES for (2S)-1-methoxy-N-[(2,4,5-trimethylphenyl)methyl]propan-2-amine is COC[C@H](C)NCc1cc(C)c(C)cc1C.
What is the InChIKey of (2S)-1-methoxy-N-[(2,4,5-trimethylphenyl)methyl]propan-2-amine?
The InChIKey is ODMHGYGRWROYIX-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H23NO/c1-10-6-12(3)14(7-11(10)2)8-15-13(4)9-16-5/h6-7,13,15H,8-9H2,1-5H3/t13-/m0/s1.
What are the key properties of (2S)-1-methoxy-N-[(2,4,5-trimethylphenyl)methyl]propan-2-amine?
(2S)-1-methoxy-N-[(2,4,5-trimethylphenyl)methyl]propan-2-amine has a molecular weight of 221.34 g/mol, XLogP of 2.74, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-methoxy-N-[(2,4,5-trimethylphenyl)methyl]propan-2-amine is sourced from PubChem (CID 93026373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).