N-[[2-(2-methoxyethoxy)phenyl]methyl]-3-(2-phenylethoxy)aniline

C24H27NO3 — CID 54802511

IUPACN-[[2-(2-methoxyethoxy)phenyl]methyl]-3-(2-phenylethoxy)aniline
SMILESCOCCOc1ccccc1CNc1cccc(OCCc2ccccc2)c1
InChIInChI=1S/C24H27NO3/c1-26-16-17-28-24-13-6-5-10-21(24)19-25-22-11-7-12-23(18-22)27-15-14-20-8-3-2-4-9-20/h2-13,18,25H,14-17,19H2,1H3
InChIKeyWCZNQMIQKWPEPQ-UHFFFAOYSA-N
MW377.48 g/mol
LogP4.95
Rot. Bonds11

About N-[[2-(2-methoxyethoxy)phenyl]methyl]-3-(2-phenylethoxy)aniline

N-[[2-(2-methoxyethoxy)phenyl]methyl]-3-(2-phenylethoxy)aniline (PubChem CID 54802511) has the molecular formula C24H27NO3 and a molecular weight of 377.48 g/mol. Its IUPAC name is N-[[2-(2-methoxyethoxy)phenyl]methyl]-3-(2-phenylethoxy)aniline.

Molecular Properties

Compound NameN-[[2-(2-methoxyethoxy)phenyl]methyl]-3-(2-phenylethoxy)aniline
PubChem CID54802511
Molecular FormulaC24H27NO3
Molecular Weight377.48 g/mol
Exact Mass377.20
IUPAC NameN-[[2-(2-methoxyethoxy)phenyl]methyl]-3-(2-phenylethoxy)aniline
SMILESCOCCOc1ccccc1CNc1cccc(OCCc2ccccc2)c1
InChIInChI=1S/C24H27NO3/c1-26-16-17-28-24-13-6-5-10-21(24)19-25-22-11-7-12-23(18-22)27-15-14-20-8-3-2-4-9-20/h2-13,18,25H,14-17,19H2,1H3
InChIKeyWCZNQMIQKWPEPQ-UHFFFAOYSA-N
XLogP4.95
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.48
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-methoxy-N-[[3-(2-phenylethoxy)phenyl]methyl]aniline
CID 54797531
3-fluoro-N-[[2-(2-methoxyethoxy)phenyl]methyl]aniline
CID 39374232
3-(3-methylbutoxy)-N-[[2-(2-phenoxyethoxy)phenyl]methyl]aniline
CID 54800929
N-[(2-methoxyphenyl)methyl]-3-phenylmethoxyaniline
CID 54801294
N-[(2-ethoxyphenyl)methyl]-3-propoxyaniline
CID 43693650
N-[3-(2-methoxyethoxy)phenyl]-4-(2-phenylethoxy)benzamide
CID 17169886
N-[[2-(2-phenylethoxy)phenyl]methyl]-4-phenylmethoxyaniline
CID 54799401
4-(2-methoxyethoxy)-N-[(2-propoxyphenyl)methyl]aniline
CID 54799789
3-(2-phenoxyethoxy)-N-[[3-(2-phenoxyethoxy)phenyl]methyl]aniline
CID 54800842
2-fluoro-6-[[3-(2-methoxyethoxy)anilino]methyl]phenol
CID 115951590
N-benzyl-3-[2-(4-bromophenyl)ethoxy]aniline;hydrochloride
CID 141349974
4-fluoro-N-[[2-(2-phenoxyethoxy)phenyl]methyl]aniline
CID 54796483

Frequently Asked Questions

What is the IUPAC name of N-[[2-(2-methoxyethoxy)phenyl]methyl]-3-(2-phenylethoxy)aniline?
The IUPAC name of N-[[2-(2-methoxyethoxy)phenyl]methyl]-3-(2-phenylethoxy)aniline (CID 54802511) is N-[[2-(2-methoxyethoxy)phenyl]methyl]-3-(2-phenylethoxy)aniline.
What is the SMILES notation for N-[[2-(2-methoxyethoxy)phenyl]methyl]-3-(2-phenylethoxy)aniline?
The canonical SMILES for N-[[2-(2-methoxyethoxy)phenyl]methyl]-3-(2-phenylethoxy)aniline is COCCOc1ccccc1CNc1cccc(OCCc2ccccc2)c1.
What is the InChIKey of N-[[2-(2-methoxyethoxy)phenyl]methyl]-3-(2-phenylethoxy)aniline?
The InChIKey is WCZNQMIQKWPEPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27NO3/c1-26-16-17-28-24-13-6-5-10-21(24)19-25-22-11-7-12-23(18-22)27-15-14-20-8-3-2-4-9-20/h2-13,18,25H,14-17,19H2,1H3.
What are the key properties of N-[[2-(2-methoxyethoxy)phenyl]methyl]-3-(2-phenylethoxy)aniline?
N-[[2-(2-methoxyethoxy)phenyl]methyl]-3-(2-phenylethoxy)aniline has a molecular weight of 377.48 g/mol, XLogP of 4.95, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(2-methoxyethoxy)phenyl]methyl]-3-(2-phenylethoxy)aniline is sourced from PubChem (CID 54802511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).