3-methoxy-N-[[3-(2-methylpropoxy)phenyl]methyl]aniline

C18H23NO2 — CID 39386919

IUPAC3-methoxy-N-[[3-(2-methylpropoxy)phenyl]methyl]aniline
SMILESCOc1cccc(NCc2cccc(OCC(C)C)c2)c1
InChIInChI=1S/C18H23NO2/c1-14(2)13-21-18-9-4-6-15(10-18)12-19-16-7-5-8-17(11-16)20-3/h4-11,14,19H,12-13H2,1-3H3
InChIKeyUCSVAFNZKCFMCP-UHFFFAOYSA-N
MW285.39 g/mol
LogP4.34
Rot. Bonds7

About 3-methoxy-N-[[3-(2-methylpropoxy)phenyl]methyl]aniline

3-methoxy-N-[[3-(2-methylpropoxy)phenyl]methyl]aniline (PubChem CID 39386919) has the molecular formula C18H23NO2 and a molecular weight of 285.39 g/mol. Its IUPAC name is 3-methoxy-N-[[3-(2-methylpropoxy)phenyl]methyl]aniline.

Molecular Properties

Compound Name3-methoxy-N-[[3-(2-methylpropoxy)phenyl]methyl]aniline
PubChem CID39386919
Molecular FormulaC18H23NO2
Molecular Weight285.39 g/mol
Exact Mass285.17
IUPAC Name3-methoxy-N-[[3-(2-methylpropoxy)phenyl]methyl]aniline
SMILESCOc1cccc(NCc2cccc(OCC(C)C)c2)c1
InChIInChI=1S/C18H23NO2/c1-14(2)13-21-18-9-4-6-15(10-18)12-19-16-7-5-8-17(11-16)20-3/h4-11,14,19H,12-13H2,1-3H3
InChIKeyUCSVAFNZKCFMCP-UHFFFAOYSA-N
XLogP4.34
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[3-(2-methylpropoxy)phenyl]methyl]-3-phenylmethoxyaniline
CID 54801649
2,5-dimethoxy-N-[[3-(2-methylpropoxy)phenyl]methyl]aniline
CID 54796992
N-[(3-bromo-4-fluorophenyl)methyl]-3-(2-methylpropoxy)aniline
CID 63449936
N-[(3-butoxyphenyl)methyl]-3-methoxyaniline
CID 39386916
N-[(4-chlorophenyl)methyl]-3-(2-methylpropoxy)aniline
CID 54800055
3-methoxy-N-[[3-(2-phenylethoxy)phenyl]methyl]aniline
CID 54797531
N-[[4-(2-methylpropoxy)phenyl]methyl]-3-phenylmethoxyaniline
CID 54801275
N-[[3-(2-methylpropoxy)phenyl]methyl]-3-(oxolan-2-ylmethoxy)aniline
CID 54802595
N-[[4-(2-methylpropoxy)phenyl]methyl]-3-propan-2-yloxyaniline
CID 54802906
N-(2-methoxyethyl)-3-(2-methylpropoxy)aniline
CID 83961358
N-butyl-3-(2-methylpropoxy)aniline
CID 54800101
N-[[3-(2-methylpropoxy)phenyl]methyl]-4-(3-phenylpropoxy)aniline
CID 54801132

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-[[3-(2-methylpropoxy)phenyl]methyl]aniline?
The IUPAC name of 3-methoxy-N-[[3-(2-methylpropoxy)phenyl]methyl]aniline (CID 39386919) is 3-methoxy-N-[[3-(2-methylpropoxy)phenyl]methyl]aniline.
What is the SMILES notation for 3-methoxy-N-[[3-(2-methylpropoxy)phenyl]methyl]aniline?
The canonical SMILES for 3-methoxy-N-[[3-(2-methylpropoxy)phenyl]methyl]aniline is COc1cccc(NCc2cccc(OCC(C)C)c2)c1.
What is the InChIKey of 3-methoxy-N-[[3-(2-methylpropoxy)phenyl]methyl]aniline?
The InChIKey is UCSVAFNZKCFMCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO2/c1-14(2)13-21-18-9-4-6-15(10-18)12-19-16-7-5-8-17(11-16)20-3/h4-11,14,19H,12-13H2,1-3H3.
What are the key properties of 3-methoxy-N-[[3-(2-methylpropoxy)phenyl]methyl]aniline?
3-methoxy-N-[[3-(2-methylpropoxy)phenyl]methyl]aniline has a molecular weight of 285.39 g/mol, XLogP of 4.34, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-[[3-(2-methylpropoxy)phenyl]methyl]aniline is sourced from PubChem (CID 39386919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).