2,5-dimethoxy-N-[[3-(2-methylpropoxy)phenyl]methyl]aniline

C19H25NO3 — CID 54796992

IUPAC2,5-dimethoxy-N-[[3-(2-methylpropoxy)phenyl]methyl]aniline
SMILESCOc1ccc(OC)c(NCc2cccc(OCC(C)C)c2)c1
InChIInChI=1S/C19H25NO3/c1-14(2)13-23-17-7-5-6-15(10-17)12-20-18-11-16(21-3)8-9-19(18)22-4/h5-11,14,20H,12-13H2,1-4H3
InChIKeyZVLGALSZSGBJLS-UHFFFAOYSA-N
MW315.41 g/mol
LogP4.35
Rot. Bonds8

About 2,5-dimethoxy-N-[[3-(2-methylpropoxy)phenyl]methyl]aniline

2,5-dimethoxy-N-[[3-(2-methylpropoxy)phenyl]methyl]aniline (PubChem CID 54796992) has the molecular formula C19H25NO3 and a molecular weight of 315.41 g/mol. Its IUPAC name is 2,5-dimethoxy-N-[[3-(2-methylpropoxy)phenyl]methyl]aniline.

Molecular Properties

Compound Name2,5-dimethoxy-N-[[3-(2-methylpropoxy)phenyl]methyl]aniline
PubChem CID54796992
Molecular FormulaC19H25NO3
Molecular Weight315.41 g/mol
Exact Mass315.18
IUPAC Name2,5-dimethoxy-N-[[3-(2-methylpropoxy)phenyl]methyl]aniline
SMILESCOc1ccc(OC)c(NCc2cccc(OCC(C)C)c2)c1
InChIInChI=1S/C19H25NO3/c1-14(2)13-23-17-7-5-6-15(10-17)12-20-18-11-16(21-3)8-9-19(18)22-4/h5-11,14,20H,12-13H2,1-4H3
InChIKeyZVLGALSZSGBJLS-UHFFFAOYSA-N
XLogP4.35
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.41
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-methoxy-N-[[3-(2-methylpropoxy)phenyl]methyl]aniline
CID 39386919
2-(2,5-dimethoxyanilino)-N-[3-(2-methylpropoxy)phenyl]acetamide
CID 54813974
2,4,5-trichloro-N-[[3-(2-methylpropoxy)phenyl]methyl]aniline
CID 54797603
2,5-dimethyl-N-[[3-(2-methylpropoxy)phenyl]methyl]aniline
CID 39384043
2,5-dimethoxy-N-[(4-propan-2-ylphenyl)methyl]aniline
CID 28543653
N-[(3-butoxyphenyl)methyl]-2-(2-methylpropoxy)aniline
CID 54800030
2-(2-methylpropoxy)-N-[[3-(2-phenoxyethoxy)phenyl]methyl]aniline
CID 54800021
N-[[3-(2-methylpropoxy)phenyl]methyl]-2-(3-phenylpropoxy)aniline
CID 54801331
2-(2-methylpropoxy)-N-[(3-propoxyphenyl)methyl]aniline
CID 54800051
2-[3-[(2-methoxy-5-methylanilino)methyl]phenoxy]acetonitrile
CID 43761084
4-ethoxy-N-[(3-methoxyphenyl)methyl]-2-methylaniline
CID 60936145
N-[(4-butoxyphenyl)methyl]-2,5-dimethoxyaniline
CID 54797069

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethoxy-N-[[3-(2-methylpropoxy)phenyl]methyl]aniline?
The IUPAC name of 2,5-dimethoxy-N-[[3-(2-methylpropoxy)phenyl]methyl]aniline (CID 54796992) is 2,5-dimethoxy-N-[[3-(2-methylpropoxy)phenyl]methyl]aniline.
What is the SMILES notation for 2,5-dimethoxy-N-[[3-(2-methylpropoxy)phenyl]methyl]aniline?
The canonical SMILES for 2,5-dimethoxy-N-[[3-(2-methylpropoxy)phenyl]methyl]aniline is COc1ccc(OC)c(NCc2cccc(OCC(C)C)c2)c1.
What is the InChIKey of 2,5-dimethoxy-N-[[3-(2-methylpropoxy)phenyl]methyl]aniline?
The InChIKey is ZVLGALSZSGBJLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO3/c1-14(2)13-23-17-7-5-6-15(10-17)12-20-18-11-16(21-3)8-9-19(18)22-4/h5-11,14,20H,12-13H2,1-4H3.
What are the key properties of 2,5-dimethoxy-N-[[3-(2-methylpropoxy)phenyl]methyl]aniline?
2,5-dimethoxy-N-[[3-(2-methylpropoxy)phenyl]methyl]aniline has a molecular weight of 315.41 g/mol, XLogP of 4.35, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethoxy-N-[[3-(2-methylpropoxy)phenyl]methyl]aniline is sourced from PubChem (CID 54796992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).