2-ethoxy-N-[[4-(2-methylpropoxy)phenyl]methyl]aniline

C19H25NO2 — CID 54798124

IUPAC2-ethoxy-N-[[4-(2-methylpropoxy)phenyl]methyl]aniline
SMILESCCOc1ccccc1NCc1ccc(OCC(C)C)cc1
InChIInChI=1S/C19H25NO2/c1-4-21-19-8-6-5-7-18(19)20-13-16-9-11-17(12-10-16)22-14-15(2)3/h5-12,15,20H,4,13-14H2,1-3H3
InChIKeyDOPVQEMHOHBKMV-UHFFFAOYSA-N
MW299.41 g/mol
LogP4.73
Rot. Bonds8

About 2-ethoxy-N-[[4-(2-methylpropoxy)phenyl]methyl]aniline

2-ethoxy-N-[[4-(2-methylpropoxy)phenyl]methyl]aniline (PubChem CID 54798124) has the molecular formula C19H25NO2 and a molecular weight of 299.41 g/mol. Its IUPAC name is 2-ethoxy-N-[[4-(2-methylpropoxy)phenyl]methyl]aniline.

Molecular Properties

Compound Name2-ethoxy-N-[[4-(2-methylpropoxy)phenyl]methyl]aniline
PubChem CID54798124
Molecular FormulaC19H25NO2
Molecular Weight299.41 g/mol
Exact Mass299.19
IUPAC Name2-ethoxy-N-[[4-(2-methylpropoxy)phenyl]methyl]aniline
SMILESCCOc1ccccc1NCc1ccc(OCC(C)C)cc1
InChIInChI=1S/C19H25NO2/c1-4-21-19-8-6-5-7-18(19)20-13-16-9-11-17(12-10-16)22-14-15(2)3/h5-12,15,20H,4,13-14H2,1-3H3
InChIKeyDOPVQEMHOHBKMV-UHFFFAOYSA-N
XLogP4.73
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.41
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-ethoxyethoxy)-N-[[4-(2-methylpropoxy)phenyl]methyl]aniline
CID 54801824
N-[[4-(2-methylpropoxy)phenyl]methyl]-2-(3-phenylpropoxy)aniline
CID 54801301
2-ethoxy-N-[[4-(2-ethoxyethoxy)phenyl]methyl]aniline
CID 54797999
2-fluoro-N-[[4-(2-methylpropoxy)phenyl]methyl]aniline
CID 39372728
2,3-dimethyl-N-[[4-(2-methylpropoxy)phenyl]methyl]aniline
CID 39384066
N-[(3-butoxyphenyl)methyl]-2-(2-methylpropoxy)aniline
CID 54800030
2-(2-ethoxyethoxy)-N-[[4-(2-phenoxyethoxy)phenyl]methyl]aniline
CID 54801760
2-(2-methylpropoxy)-N-[[3-(2-phenoxyethoxy)phenyl]methyl]aniline
CID 54800021
2-(2-ethoxyethoxy)-N-[(4-propoxyphenyl)methyl]aniline
CID 54801709
2-(2-methylpropoxy)-N-[(3-propoxyphenyl)methyl]aniline
CID 54800051
N-[(2-ethylphenyl)methyl]-2-(2-methylpropoxy)aniline
CID 63453225
N-[[4-(2-methylpropoxy)phenyl]methyl]-1-phenylmethanamine
CID 39369134

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N-[[4-(2-methylpropoxy)phenyl]methyl]aniline?
The IUPAC name of 2-ethoxy-N-[[4-(2-methylpropoxy)phenyl]methyl]aniline (CID 54798124) is 2-ethoxy-N-[[4-(2-methylpropoxy)phenyl]methyl]aniline.
What is the SMILES notation for 2-ethoxy-N-[[4-(2-methylpropoxy)phenyl]methyl]aniline?
The canonical SMILES for 2-ethoxy-N-[[4-(2-methylpropoxy)phenyl]methyl]aniline is CCOc1ccccc1NCc1ccc(OCC(C)C)cc1.
What is the InChIKey of 2-ethoxy-N-[[4-(2-methylpropoxy)phenyl]methyl]aniline?
The InChIKey is DOPVQEMHOHBKMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO2/c1-4-21-19-8-6-5-7-18(19)20-13-16-9-11-17(12-10-16)22-14-15(2)3/h5-12,15,20H,4,13-14H2,1-3H3.
What are the key properties of 2-ethoxy-N-[[4-(2-methylpropoxy)phenyl]methyl]aniline?
2-ethoxy-N-[[4-(2-methylpropoxy)phenyl]methyl]aniline has a molecular weight of 299.41 g/mol, XLogP of 4.73, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N-[[4-(2-methylpropoxy)phenyl]methyl]aniline is sourced from PubChem (CID 54798124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).