3-methoxy-N-[(2-methoxy-5-methylphenyl)methyl]propan-1-amine

C13H21NO2 — CID 43406573

IUPAC3-methoxy-N-[(2-methoxy-5-methylphenyl)methyl]propan-1-amine
SMILESCOCCCNCc1cc(C)ccc1OC
InChIInChI=1S/C13H21NO2/c1-11-5-6-13(16-3)12(9-11)10-14-7-4-8-15-2/h5-6,9,14H,4,7-8,10H2,1-3H3
InChIKeyNOGZIXBXBHHFCD-UHFFFAOYSA-N
MW223.32 g/mol
LogP2.13
Rot. Bonds7

About 3-methoxy-N-[(2-methoxy-5-methylphenyl)methyl]propan-1-amine

3-methoxy-N-[(2-methoxy-5-methylphenyl)methyl]propan-1-amine (PubChem CID 43406573) has the molecular formula C13H21NO2 and a molecular weight of 223.32 g/mol. Its IUPAC name is 3-methoxy-N-[(2-methoxy-5-methylphenyl)methyl]propan-1-amine.

Molecular Properties

Compound Name3-methoxy-N-[(2-methoxy-5-methylphenyl)methyl]propan-1-amine
PubChem CID43406573
Molecular FormulaC13H21NO2
Molecular Weight223.32 g/mol
Exact Mass223.16
IUPAC Name3-methoxy-N-[(2-methoxy-5-methylphenyl)methyl]propan-1-amine
SMILESCOCCCNCc1cc(C)ccc1OC
InChIInChI=1S/C13H21NO2/c1-11-5-6-13(16-3)12(9-11)10-14-7-4-8-15-2/h5-6,9,14H,4,7-8,10H2,1-3H3
InChIKeyNOGZIXBXBHHFCD-UHFFFAOYSA-N
XLogP2.13
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-(2-chloroethoxy)-N-[(2-methoxy-5-methylphenyl)methyl]propan-1-amine
CID 114171234
N'-[(2-methoxy-5-methylphenyl)methyl]butane-1,4-diamine
CID 60894902
N-[(2-methoxy-5-methylphenyl)methyl]-4-methylpentan-1-amine
CID 60744416
4-[(2-methoxy-5-methylphenyl)methylamino]butanoic acid
CID 43473831
N-[(2-methoxy-5-methylphenyl)methyl]-2-propan-2-yloxyethanamine
CID 104588261
N-[(2-methoxy-5-methylphenyl)methyl]-2-methylsulfanylethanamine
CID 60663713
N-[(2-methoxy-5-methylphenyl)methyl]-1-(2,4,5-trimethoxyphenyl)methanamine
CID 46823346
N-[(2-methoxy-5-methylphenyl)methyl]-2-methylsulfinylethanamine
CID 115632611
N-[[2-[2-(3-methoxypropoxy)ethoxy]-5-methylphenyl]methyl]propan-1-amine
CID 103177793
N-[(2-methoxy-5-methylphenyl)methyl]-N',N'-di(propan-2-yl)ethane-1,2-diamine
CID 43406710
3-[(2-methoxy-5-methylphenyl)methylamino]propanamide
CID 43423932
N-[(5-methyl-2-propoxyphenyl)methyl]butan-1-amine
CID 97179196

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-[(2-methoxy-5-methylphenyl)methyl]propan-1-amine?
The IUPAC name of 3-methoxy-N-[(2-methoxy-5-methylphenyl)methyl]propan-1-amine (CID 43406573) is 3-methoxy-N-[(2-methoxy-5-methylphenyl)methyl]propan-1-amine.
What is the SMILES notation for 3-methoxy-N-[(2-methoxy-5-methylphenyl)methyl]propan-1-amine?
The canonical SMILES for 3-methoxy-N-[(2-methoxy-5-methylphenyl)methyl]propan-1-amine is COCCCNCc1cc(C)ccc1OC.
What is the InChIKey of 3-methoxy-N-[(2-methoxy-5-methylphenyl)methyl]propan-1-amine?
The InChIKey is NOGZIXBXBHHFCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO2/c1-11-5-6-13(16-3)12(9-11)10-14-7-4-8-15-2/h5-6,9,14H,4,7-8,10H2,1-3H3.
What are the key properties of 3-methoxy-N-[(2-methoxy-5-methylphenyl)methyl]propan-1-amine?
3-methoxy-N-[(2-methoxy-5-methylphenyl)methyl]propan-1-amine has a molecular weight of 223.32 g/mol, XLogP of 2.13, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-[(2-methoxy-5-methylphenyl)methyl]propan-1-amine is sourced from PubChem (CID 43406573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).