1-(5-chloro-2-methoxy-4-methylphenyl)-1-methoxy-N-methylmethanamine

C11H16ClNO2 — CID 116961483

IUPAC1-(5-chloro-2-methoxy-4-methylphenyl)-1-methoxy-N-methylmethanamine
SMILESCNC(OC)c1cc(Cl)c(C)cc1OC
InChIInChI=1S/C11H16ClNO2/c1-7-5-10(14-3)8(6-9(7)12)11(13-2)15-4/h5-6,11,13H,1-4H3
InChIKeyXBRBONYIZWEPIX-UHFFFAOYSA-N
MW229.71 g/mol
LogP2.52
Rot. Bonds4

About 1-(5-chloro-2-methoxy-4-methylphenyl)-1-methoxy-N-methylmethanamine

1-(5-chloro-2-methoxy-4-methylphenyl)-1-methoxy-N-methylmethanamine (PubChem CID 116961483) has the molecular formula C11H16ClNO2 and a molecular weight of 229.71 g/mol. Its IUPAC name is 1-(5-chloro-2-methoxy-4-methylphenyl)-1-methoxy-N-methylmethanamine.

Molecular Properties

Compound Name1-(5-chloro-2-methoxy-4-methylphenyl)-1-methoxy-N-methylmethanamine
PubChem CID116961483
Molecular FormulaC11H16ClNO2
Molecular Weight229.71 g/mol
Exact Mass229.09
IUPAC Name1-(5-chloro-2-methoxy-4-methylphenyl)-1-methoxy-N-methylmethanamine
SMILESCNC(OC)c1cc(Cl)c(C)cc1OC
InChIInChI=1S/C11H16ClNO2/c1-7-5-10(14-3)8(6-9(7)12)11(13-2)15-4/h5-6,11,13H,1-4H3
InChIKeyXBRBONYIZWEPIX-UHFFFAOYSA-N
XLogP2.52
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.71
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 1-(5-chloro-2-methoxy-4-methylphenyl)-1-methoxy-N-methylmethanamine with MolForge

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

Launch Full Analysis

Related Compounds

amino-(5-chloro-2-methoxy-4-methylphenyl)methanethiol
CID 116939471
1-(5-chloro-2-methoxy-4-methylphenyl)ethanol
CID 82265131
2-(5-chloro-2-methoxy-4-methylphenyl)-N-methylbutan-1-amine
CID 116964692
(1R)-1-(5-chloro-2-methoxy-4-methylphenyl)ethane-1,2-diamine
CID 66517766
2-chloro-1-(5-chloro-2-methoxy-4-methylphenyl)ethanol
CID 116863542
1-(5-chloro-2-methoxy-4-methylphenyl)-N'-propan-2-ylethane-1,2-diamine
CID 116935045
(1S)-1-(5-chloro-2-methoxy-4-methylphenyl)prop-2-en-1-amine
CID 130747269
methyl 2-amino-2-(5-chloro-4-methoxy-2-methylphenyl)acetate
CID 116856914
2-[1-(5-chloro-2-methoxy-4-methylphenyl)ethyl]propane-1,3-diamine
CID 83937480
1-(2,4-dichlorophenyl)-1-methoxy-N-methylmethanamine
CID 116961551
1-methoxy-1-(4-methoxy-2,3,5-trimethylphenyl)-N-methylmethanamine
CID 116961496
1-(5-chloro-2-methoxy-4-methylphenyl)butane-1,4-diamine
CID 116933715

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-methoxy-4-methylphenyl)-1-methoxy-N-methylmethanamine?
The IUPAC name of 1-(5-chloro-2-methoxy-4-methylphenyl)-1-methoxy-N-methylmethanamine (CID 116961483) is 1-(5-chloro-2-methoxy-4-methylphenyl)-1-methoxy-N-methylmethanamine.
What is the SMILES notation for 1-(5-chloro-2-methoxy-4-methylphenyl)-1-methoxy-N-methylmethanamine?
The canonical SMILES for 1-(5-chloro-2-methoxy-4-methylphenyl)-1-methoxy-N-methylmethanamine is CNC(OC)c1cc(Cl)c(C)cc1OC.
What is the InChIKey of 1-(5-chloro-2-methoxy-4-methylphenyl)-1-methoxy-N-methylmethanamine?
The InChIKey is XBRBONYIZWEPIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClNO2/c1-7-5-10(14-3)8(6-9(7)12)11(13-2)15-4/h5-6,11,13H,1-4H3.
What are the key properties of 1-(5-chloro-2-methoxy-4-methylphenyl)-1-methoxy-N-methylmethanamine?
1-(5-chloro-2-methoxy-4-methylphenyl)-1-methoxy-N-methylmethanamine has a molecular weight of 229.71 g/mol, XLogP of 2.52, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2-methoxy-4-methylphenyl)-1-methoxy-N-methylmethanamine is sourced from PubChem (CID 116961483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).