2-methoxy-5-methyl-N-[[2-(2-methylpropoxy)phenyl]methyl]aniline

C19H25NO2 — CID 39422604

IUPAC2-methoxy-5-methyl-N-[[2-(2-methylpropoxy)phenyl]methyl]aniline
SMILESCOc1ccc(C)cc1NCc1ccccc1OCC(C)C
InChIInChI=1S/C19H25NO2/c1-14(2)13-22-18-8-6-5-7-16(18)12-20-17-11-15(3)9-10-19(17)21-4/h5-11,14,20H,12-13H2,1-4H3
InChIKeyQWMACRFCFDUZOL-UHFFFAOYSA-N
MW299.41 g/mol
LogP4.65
Rot. Bonds7

About 2-methoxy-5-methyl-N-[[2-(2-methylpropoxy)phenyl]methyl]aniline

2-methoxy-5-methyl-N-[[2-(2-methylpropoxy)phenyl]methyl]aniline (PubChem CID 39422604) has the molecular formula C19H25NO2 and a molecular weight of 299.41 g/mol. Its IUPAC name is 2-methoxy-5-methyl-N-[[2-(2-methylpropoxy)phenyl]methyl]aniline.

Molecular Properties

Compound Name2-methoxy-5-methyl-N-[[2-(2-methylpropoxy)phenyl]methyl]aniline
PubChem CID39422604
Molecular FormulaC19H25NO2
Molecular Weight299.41 g/mol
Exact Mass299.19
IUPAC Name2-methoxy-5-methyl-N-[[2-(2-methylpropoxy)phenyl]methyl]aniline
SMILESCOc1ccc(C)cc1NCc1ccccc1OCC(C)C
InChIInChI=1S/C19H25NO2/c1-14(2)13-22-18-8-6-5-7-16(18)12-20-17-11-15(3)9-10-19(17)21-4/h5-11,14,20H,12-13H2,1-4H3
InChIKeyQWMACRFCFDUZOL-UHFFFAOYSA-N
XLogP4.65
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.41
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_OC_alk_D(2)', 'substructure': 'N/A'}

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Related Compounds

2-methoxy-5-methyl-N-[(2-propan-2-yloxyphenyl)methyl]aniline
CID 39386889
2,4,6-trimethyl-N-[[2-(2-methylpropoxy)phenyl]methyl]aniline
CID 39418717
5-chloro-2-methyl-N-[[2-(2-methylpropoxy)phenyl]methyl]aniline
CID 39432274
2-bromo-N-[(2-methoxyphenyl)methyl]-5-methylaniline
CID 82761234
2,4-dichloro-N-[[2-(2-methylpropoxy)phenyl]methyl]aniline
CID 54795837
N-[(2-ethylphenyl)methyl]-2-(2-methylpropoxy)aniline
CID 63453225
N-[[2-(3-methylbutoxy)phenyl]methyl]-2-(2-methylpropoxy)aniline
CID 54800105
5-fluoro-2-methoxy-N-[(2-methoxyphenyl)methyl]aniline
CID 82539043
N-[(2-fluoro-5-methylphenyl)methyl]-2-methoxy-5-methylaniline
CID 103818113
N-[(2-chloro-4,5-dimethoxyphenyl)methyl]-1-[2-(2-methylpropoxy)phenyl]methanamine
CID 54855372
5-chloro-2-methoxy-N-[(2-propan-2-yloxyphenyl)methyl]aniline
CID 39438809
N-[[2-(difluoromethoxy)phenyl]methyl]-2-methoxy-4-methylaniline
CID 60932232

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-5-methyl-N-[[2-(2-methylpropoxy)phenyl]methyl]aniline?
The IUPAC name of 2-methoxy-5-methyl-N-[[2-(2-methylpropoxy)phenyl]methyl]aniline (CID 39422604) is 2-methoxy-5-methyl-N-[[2-(2-methylpropoxy)phenyl]methyl]aniline.
What is the SMILES notation for 2-methoxy-5-methyl-N-[[2-(2-methylpropoxy)phenyl]methyl]aniline?
The canonical SMILES for 2-methoxy-5-methyl-N-[[2-(2-methylpropoxy)phenyl]methyl]aniline is COc1ccc(C)cc1NCc1ccccc1OCC(C)C.
What is the InChIKey of 2-methoxy-5-methyl-N-[[2-(2-methylpropoxy)phenyl]methyl]aniline?
The InChIKey is QWMACRFCFDUZOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO2/c1-14(2)13-22-18-8-6-5-7-16(18)12-20-17-11-15(3)9-10-19(17)21-4/h5-11,14,20H,12-13H2,1-4H3.
What are the key properties of 2-methoxy-5-methyl-N-[[2-(2-methylpropoxy)phenyl]methyl]aniline?
2-methoxy-5-methyl-N-[[2-(2-methylpropoxy)phenyl]methyl]aniline has a molecular weight of 299.41 g/mol, XLogP of 4.65, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-5-methyl-N-[[2-(2-methylpropoxy)phenyl]methyl]aniline is sourced from PubChem (CID 39422604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).