4-(2-methoxyethoxy)-N-[(2-propoxyphenyl)methyl]aniline

C19H25NO3 — CID 54799789

IUPAC4-(2-methoxyethoxy)-N-[(2-propoxyphenyl)methyl]aniline
SMILESCCCOc1ccccc1CNc1ccc(OCCOC)cc1
InChIInChI=1S/C19H25NO3/c1-3-12-23-19-7-5-4-6-16(19)15-20-17-8-10-18(11-9-17)22-14-13-21-2/h4-11,20H,3,12-15H2,1-2H3
InChIKeyAAZWSPXDTLZRCO-UHFFFAOYSA-N
MW315.41 g/mol
LogP4.11
Rot. Bonds10

About 4-(2-methoxyethoxy)-N-[(2-propoxyphenyl)methyl]aniline

4-(2-methoxyethoxy)-N-[(2-propoxyphenyl)methyl]aniline (PubChem CID 54799789) has the molecular formula C19H25NO3 and a molecular weight of 315.41 g/mol. Its IUPAC name is 4-(2-methoxyethoxy)-N-[(2-propoxyphenyl)methyl]aniline.

Molecular Properties

Compound Name4-(2-methoxyethoxy)-N-[(2-propoxyphenyl)methyl]aniline
PubChem CID54799789
Molecular FormulaC19H25NO3
Molecular Weight315.41 g/mol
Exact Mass315.18
IUPAC Name4-(2-methoxyethoxy)-N-[(2-propoxyphenyl)methyl]aniline
SMILESCCCOc1ccccc1CNc1ccc(OCCOC)cc1
InChIInChI=1S/C19H25NO3/c1-3-12-23-19-7-5-4-6-16(19)15-20-17-8-10-18(11-9-17)22-14-13-21-2/h4-11,20H,3,12-15H2,1-2H3
InChIKeyAAZWSPXDTLZRCO-UHFFFAOYSA-N
XLogP4.11
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.41
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[(2-hexoxyphenyl)methyl]-4-(2-methoxyethoxy)aniline
CID 54799770
4-ethoxy-N-[(2-propoxyphenyl)methyl]aniline
CID 39386882
4-heptoxy-N-[(2-pentoxyphenyl)methyl]aniline
CID 54799636
4-propan-2-yloxy-N-[(2-propoxyphenyl)methyl]aniline
CID 39422587
4-tert-butyl-N-[[2-(2-methoxyethoxy)phenyl]methyl]aniline
CID 39455772
4-methyl-N-[(2-propoxyphenyl)methyl]aniline
CID 39357777
N-[(2-chlorophenyl)methyl]-4-(2-methoxyethoxy)aniline
CID 43734126
2-butoxy-N-[[2-(2-methoxyethoxy)phenyl]methyl]aniline
CID 54801593
4-fluoro-N-[[2-(2-phenoxyethoxy)phenyl]methyl]aniline
CID 54796483
N-[(2-butoxyphenyl)methyl]-4-tert-butylaniline
CID 39451770
N-[(2-pentoxyphenyl)methyl]-4-phenylmethoxyaniline
CID 54799405
2-bromo-6-[[4-(2-methoxyethoxy)anilino]methyl]phenol
CID 61391221

Frequently Asked Questions

What is the IUPAC name of 4-(2-methoxyethoxy)-N-[(2-propoxyphenyl)methyl]aniline?
The IUPAC name of 4-(2-methoxyethoxy)-N-[(2-propoxyphenyl)methyl]aniline (CID 54799789) is 4-(2-methoxyethoxy)-N-[(2-propoxyphenyl)methyl]aniline.
What is the SMILES notation for 4-(2-methoxyethoxy)-N-[(2-propoxyphenyl)methyl]aniline?
The canonical SMILES for 4-(2-methoxyethoxy)-N-[(2-propoxyphenyl)methyl]aniline is CCCOc1ccccc1CNc1ccc(OCCOC)cc1.
What is the InChIKey of 4-(2-methoxyethoxy)-N-[(2-propoxyphenyl)methyl]aniline?
The InChIKey is AAZWSPXDTLZRCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO3/c1-3-12-23-19-7-5-4-6-16(19)15-20-17-8-10-18(11-9-17)22-14-13-21-2/h4-11,20H,3,12-15H2,1-2H3.
What are the key properties of 4-(2-methoxyethoxy)-N-[(2-propoxyphenyl)methyl]aniline?
4-(2-methoxyethoxy)-N-[(2-propoxyphenyl)methyl]aniline has a molecular weight of 315.41 g/mol, XLogP of 4.11, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methoxyethoxy)-N-[(2-propoxyphenyl)methyl]aniline is sourced from PubChem (CID 54799789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).