2-(2-ethoxyethoxy)-N-[(3-methylphenyl)methyl]aniline

C18H23NO2 — CID 54801770

IUPAC2-(2-ethoxyethoxy)-N-[(3-methylphenyl)methyl]aniline
SMILESCCOCCOc1ccccc1NCc1cccc(C)c1
InChIInChI=1S/C18H23NO2/c1-3-20-11-12-21-18-10-5-4-9-17(18)19-14-16-8-6-7-15(2)13-16/h4-10,13,19H,3,11-12,14H2,1-2H3
InChIKeySGVFDDZONFQCDU-UHFFFAOYSA-N
MW285.39 g/mol
LogP4.02
Rot. Bonds8

About 2-(2-ethoxyethoxy)-N-[(3-methylphenyl)methyl]aniline

2-(2-ethoxyethoxy)-N-[(3-methylphenyl)methyl]aniline (PubChem CID 54801770) has the molecular formula C18H23NO2 and a molecular weight of 285.39 g/mol. Its IUPAC name is 2-(2-ethoxyethoxy)-N-[(3-methylphenyl)methyl]aniline.

Molecular Properties

Compound Name2-(2-ethoxyethoxy)-N-[(3-methylphenyl)methyl]aniline
PubChem CID54801770
Molecular FormulaC18H23NO2
Molecular Weight285.39 g/mol
Exact Mass285.17
IUPAC Name2-(2-ethoxyethoxy)-N-[(3-methylphenyl)methyl]aniline
SMILESCCOCCOc1ccccc1NCc1cccc(C)c1
InChIInChI=1S/C18H23NO2/c1-3-20-11-12-21-18-10-5-4-9-17(18)19-14-16-8-6-7-15(2)13-16/h4-10,13,19H,3,11-12,14H2,1-2H3
InChIKeySGVFDDZONFQCDU-UHFFFAOYSA-N
XLogP4.02
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(2-ethoxyethoxy)-N-[[4-(2-phenoxyethoxy)phenyl]methyl]aniline
CID 54801760
2-(2-ethoxyethoxy)-N-[(4-propoxyphenyl)methyl]aniline
CID 54801709
2-ethoxy-N-[[4-(2-ethoxyethoxy)phenyl]methyl]aniline
CID 54797999
N-[(3-methylphenyl)methyl]-2-propan-2-yloxyaniline
CID 43739167
N-[[4-(2-ethoxyethoxy)phenyl]methyl]-2-(3-phenylpropoxy)aniline
CID 54801303
2-(2-ethoxyethoxy)-N-[(4-heptoxyphenyl)methyl]aniline
CID 54801750
2-(2-ethoxyethoxy)-N-[[4-(2-methylpropoxy)phenyl]methyl]aniline
CID 54801824
2-butoxy-N-[(3-butoxyphenyl)methyl]aniline
CID 54801697
3-[(2-propoxyanilino)methyl]phenol
CID 43682286
N-[[2-(2-ethoxyethoxy)phenyl]methyl]-2,5-dimethylaniline
CID 54797123
N-[(3-methylphenyl)methyl]-2-[4-[(3-methylphenyl)methylamino]phenoxy]aniline
CID 20555519
N-(2-ethoxyphenyl)-2-[(3-methylphenyl)methylamino]acetamide
CID 108996805

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethoxyethoxy)-N-[(3-methylphenyl)methyl]aniline?
The IUPAC name of 2-(2-ethoxyethoxy)-N-[(3-methylphenyl)methyl]aniline (CID 54801770) is 2-(2-ethoxyethoxy)-N-[(3-methylphenyl)methyl]aniline.
What is the SMILES notation for 2-(2-ethoxyethoxy)-N-[(3-methylphenyl)methyl]aniline?
The canonical SMILES for 2-(2-ethoxyethoxy)-N-[(3-methylphenyl)methyl]aniline is CCOCCOc1ccccc1NCc1cccc(C)c1.
What is the InChIKey of 2-(2-ethoxyethoxy)-N-[(3-methylphenyl)methyl]aniline?
The InChIKey is SGVFDDZONFQCDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO2/c1-3-20-11-12-21-18-10-5-4-9-17(18)19-14-16-8-6-7-15(2)13-16/h4-10,13,19H,3,11-12,14H2,1-2H3.
What are the key properties of 2-(2-ethoxyethoxy)-N-[(3-methylphenyl)methyl]aniline?
2-(2-ethoxyethoxy)-N-[(3-methylphenyl)methyl]aniline has a molecular weight of 285.39 g/mol, XLogP of 4.02, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethoxyethoxy)-N-[(3-methylphenyl)methyl]aniline is sourced from PubChem (CID 54801770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).