N-[[3-methoxy-4-(2-methylpropoxy)phenyl]methyl]-2,6-dimethylaniline

C20H27NO2 — CID 39455896

IUPACN-[[3-methoxy-4-(2-methylpropoxy)phenyl]methyl]-2,6-dimethylaniline
SMILESCOc1cc(CNc2c(C)cccc2C)ccc1OCC(C)C
InChIInChI=1S/C20H27NO2/c1-14(2)13-23-18-10-9-17(11-19(18)22-5)12-21-20-15(3)7-6-8-16(20)4/h6-11,14,21H,12-13H2,1-5H3
InChIKeyVZUOBCYGPFGFAI-UHFFFAOYSA-N
MW313.44 g/mol
LogP4.96
Rot. Bonds7

About N-[[3-methoxy-4-(2-methylpropoxy)phenyl]methyl]-2,6-dimethylaniline

N-[[3-methoxy-4-(2-methylpropoxy)phenyl]methyl]-2,6-dimethylaniline (PubChem CID 39455896) has the molecular formula C20H27NO2 and a molecular weight of 313.44 g/mol. Its IUPAC name is N-[[3-methoxy-4-(2-methylpropoxy)phenyl]methyl]-2,6-dimethylaniline.

Molecular Properties

Compound NameN-[[3-methoxy-4-(2-methylpropoxy)phenyl]methyl]-2,6-dimethylaniline
PubChem CID39455896
Molecular FormulaC20H27NO2
Molecular Weight313.44 g/mol
Exact Mass313.20
IUPAC NameN-[[3-methoxy-4-(2-methylpropoxy)phenyl]methyl]-2,6-dimethylaniline
SMILESCOc1cc(CNc2c(C)cccc2C)ccc1OCC(C)C
InChIInChI=1S/C20H27NO2/c1-14(2)13-23-18-10-9-17(11-19(18)22-5)12-21-20-15(3)7-6-8-16(20)4/h6-11,14,21H,12-13H2,1-5H3
InChIKeyVZUOBCYGPFGFAI-UHFFFAOYSA-N
XLogP4.96
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.44
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[3-methoxy-4-(2-methylpropoxy)phenyl]methyl]-3-methylaniline
CID 39422766
3-fluoro-N-[[3-methoxy-4-(2-methylpropoxy)phenyl]methyl]aniline
CID 39430250
N-[[4-methoxy-3-(2-methylpropoxy)phenyl]methyl]-3,4-dimethylaniline
CID 39455864
N-[[3-methoxy-2-(2-methylpropoxy)phenyl]methyl]-2,6-dimethylaniline
CID 39455831
2-methoxy-N-[[3-methoxy-4-(2-methylpropoxy)phenyl]methyl]ethanamine
CID 39366584
4-(bromomethyl)-2-methoxy-1-(2-methylpropoxy)benzene
CID 43141726
6-N-[(3,4-dimethoxyphenyl)methyl]-4-N-(2,6-dimethylphenyl)pyrimidine-4,6-diamine
CID 112862593
N-[[3-methoxy-4-(2-methylpropoxy)phenyl]methyl]octan-1-amine
CID 54807740
[3-methoxy-4-(2-methylpropoxy)phenyl]methyl-[(1R)-1-phenylethyl]azanium
CID 7479255
N-[[3-methoxy-4-[(2-methylphenyl)methoxy]phenyl]methyl]-2-methylpropan-1-amine
CID 4719506
1-[2-methoxy-4-(methylaminomethyl)phenoxy]propan-2-ol
CID 60881863
N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-[3-methoxy-4-(2-methylpropoxy)phenyl]methanamine
CID 19623119

Frequently Asked Questions

What is the IUPAC name of N-[[3-methoxy-4-(2-methylpropoxy)phenyl]methyl]-2,6-dimethylaniline?
The IUPAC name of N-[[3-methoxy-4-(2-methylpropoxy)phenyl]methyl]-2,6-dimethylaniline (CID 39455896) is N-[[3-methoxy-4-(2-methylpropoxy)phenyl]methyl]-2,6-dimethylaniline.
What is the SMILES notation for N-[[3-methoxy-4-(2-methylpropoxy)phenyl]methyl]-2,6-dimethylaniline?
The canonical SMILES for N-[[3-methoxy-4-(2-methylpropoxy)phenyl]methyl]-2,6-dimethylaniline is COc1cc(CNc2c(C)cccc2C)ccc1OCC(C)C.
What is the InChIKey of N-[[3-methoxy-4-(2-methylpropoxy)phenyl]methyl]-2,6-dimethylaniline?
The InChIKey is VZUOBCYGPFGFAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27NO2/c1-14(2)13-23-18-10-9-17(11-19(18)22-5)12-21-20-15(3)7-6-8-16(20)4/h6-11,14,21H,12-13H2,1-5H3.
What are the key properties of N-[[3-methoxy-4-(2-methylpropoxy)phenyl]methyl]-2,6-dimethylaniline?
N-[[3-methoxy-4-(2-methylpropoxy)phenyl]methyl]-2,6-dimethylaniline has a molecular weight of 313.44 g/mol, XLogP of 4.96, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-methoxy-4-(2-methylpropoxy)phenyl]methyl]-2,6-dimethylaniline is sourced from PubChem (CID 39455896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).