3-methoxy-5-[[methyl-[(3-methylphenyl)methyl]amino]methyl]aniline

C17H22N2O — CID 81150368

IUPAC3-methoxy-5-[[methyl-[(3-methylphenyl)methyl]amino]methyl]aniline
SMILESCOc1cc(N)cc(CN(C)Cc2cccc(C)c2)c1
InChIInChI=1S/C17H22N2O/c1-13-5-4-6-14(7-13)11-19(2)12-15-8-16(18)10-17(9-15)20-3/h4-10H,11-12,18H2,1-3H3
InChIKeyLSVPUJHTIVWEHK-UHFFFAOYSA-N
MW270.38 g/mol
LogP3.22
Rot. Bonds5

About 3-methoxy-5-[[methyl-[(3-methylphenyl)methyl]amino]methyl]aniline

3-methoxy-5-[[methyl-[(3-methylphenyl)methyl]amino]methyl]aniline (PubChem CID 81150368) has the molecular formula C17H22N2O and a molecular weight of 270.38 g/mol. Its IUPAC name is 3-methoxy-5-[[methyl-[(3-methylphenyl)methyl]amino]methyl]aniline.

Molecular Properties

Compound Name3-methoxy-5-[[methyl-[(3-methylphenyl)methyl]amino]methyl]aniline
PubChem CID81150368
Molecular FormulaC17H22N2O
Molecular Weight270.38 g/mol
Exact Mass270.17
IUPAC Name3-methoxy-5-[[methyl-[(3-methylphenyl)methyl]amino]methyl]aniline
SMILESCOc1cc(N)cc(CN(C)Cc2cccc(C)c2)c1
InChIInChI=1S/C17H22N2O/c1-13-5-4-6-14(7-13)11-19(2)12-15-8-16(18)10-17(9-15)20-3/h4-10H,11-12,18H2,1-3H3
InChIKeyLSVPUJHTIVWEHK-UHFFFAOYSA-N
XLogP3.22
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-5-[[methyl-[(3-methylphenyl)methyl]amino]methyl]aniline?
The IUPAC name of 3-methoxy-5-[[methyl-[(3-methylphenyl)methyl]amino]methyl]aniline (CID 81150368) is 3-methoxy-5-[[methyl-[(3-methylphenyl)methyl]amino]methyl]aniline.
What is the SMILES notation for 3-methoxy-5-[[methyl-[(3-methylphenyl)methyl]amino]methyl]aniline?
The canonical SMILES for 3-methoxy-5-[[methyl-[(3-methylphenyl)methyl]amino]methyl]aniline is COc1cc(N)cc(CN(C)Cc2cccc(C)c2)c1.
What is the InChIKey of 3-methoxy-5-[[methyl-[(3-methylphenyl)methyl]amino]methyl]aniline?
The InChIKey is LSVPUJHTIVWEHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O/c1-13-5-4-6-14(7-13)11-19(2)12-15-8-16(18)10-17(9-15)20-3/h4-10H,11-12,18H2,1-3H3.
What are the key properties of 3-methoxy-5-[[methyl-[(3-methylphenyl)methyl]amino]methyl]aniline?
3-methoxy-5-[[methyl-[(3-methylphenyl)methyl]amino]methyl]aniline has a molecular weight of 270.38 g/mol, XLogP of 3.22, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-5-[[methyl-[(3-methylphenyl)methyl]amino]methyl]aniline is sourced from PubChem (CID 81150368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).