4-methyl-N-[[4-(2-phenylethoxy)phenyl]methyl]aniline

C22H23NO — CID 54797347

IUPAC4-methyl-N-[[4-(2-phenylethoxy)phenyl]methyl]aniline
SMILESCc1ccc(NCc2ccc(OCCc3ccccc3)cc2)cc1
InChIInChI=1S/C22H23NO/c1-18-7-11-21(12-8-18)23-17-20-9-13-22(14-10-20)24-16-15-19-5-3-2-4-6-19/h2-14,23H,15-17H2,1H3
InChIKeyCBSOXHGJGUXMCU-UHFFFAOYSA-N
MW317.43 g/mol
LogP5.23
Rot. Bonds7

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

4-methyl-N-[[4-(2-phenylethoxy)phenyl]methyl]aniline (PubChem CID 54797347) has the molecular formula C22H23NO and a molecular weight of 317.43 g/mol. Its IUPAC name is 4-methyl-N-[[4-(2-phenylethoxy)phenyl]methyl]aniline.

Molecular Properties

Compound Name4-methyl-N-[[4-(2-phenylethoxy)phenyl]methyl]aniline
PubChem CID54797347
Molecular FormulaC22H23NO
Molecular Weight317.43 g/mol
Exact Mass317.18
IUPAC Name4-methyl-N-[[4-(2-phenylethoxy)phenyl]methyl]aniline
SMILESCc1ccc(NCc2ccc(OCCc3ccccc3)cc2)cc1
InChIInChI=1S/C22H23NO/c1-18-7-11-21(12-8-18)23-17-20-9-13-22(14-10-20)24-16-15-19-5-3-2-4-6-19/h2-14,23H,15-17H2,1H3
InChIKeyCBSOXHGJGUXMCU-UHFFFAOYSA-N
XLogP5.23
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500317.43
LogP ≤ 55.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-methyl-4-(2-phenylethoxy)benzene;dihydrochloride
CID 174678575
N-[[4-(2-methoxyethyl)phenyl]methyl]-4-phenylmethoxyaniline
CID 118960656
N-(4-methylphenyl)-2-[4-(2-phenylethoxy)anilino]acetamide
CID 54824064
N-[[4-[(4-methylphenyl)methoxy]phenyl]methyl]-4-phenoxyaniline
CID 126117506
N-[(4-methoxyphenyl)methyl]-4-(2-phenoxyethoxy)aniline
CID 54799583
N-[2-(4-ethylphenoxy)ethyl]-4-(2-phenylethoxy)aniline
CID 54800211
N-[2-(2,5-dimethylphenoxy)ethyl]-4-(2-phenylethoxy)aniline
CID 54800205
N-[[4-(2-methoxyethoxy)phenyl]methyl]-4-phenylmethoxyaniline
CID 54799476
N-[(2-chlorophenyl)methyl]-4-(2-phenylethoxy)aniline
CID 54800221
4-hexoxy-N-[[3-(2-phenylethoxy)phenyl]methyl]aniline
CID 54798860
4-methyl-N-[[4-[(4-methylanilino)methyl]phenyl]methyl]aniline
CID 3313778
4-heptoxy-N-[(4-phenylphenyl)methyl]aniline
CID 54799378

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[[4-(2-phenylethoxy)phenyl]methyl]aniline?
The IUPAC name of 4-methyl-N-[[4-(2-phenylethoxy)phenyl]methyl]aniline (CID 54797347) is 4-methyl-N-[[4-(2-phenylethoxy)phenyl]methyl]aniline.
What is the SMILES notation for 4-methyl-N-[[4-(2-phenylethoxy)phenyl]methyl]aniline?
The canonical SMILES for 4-methyl-N-[[4-(2-phenylethoxy)phenyl]methyl]aniline is Cc1ccc(NCc2ccc(OCCc3ccccc3)cc2)cc1.
What is the InChIKey of 4-methyl-N-[[4-(2-phenylethoxy)phenyl]methyl]aniline?
The InChIKey is CBSOXHGJGUXMCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23NO/c1-18-7-11-21(12-8-18)23-17-20-9-13-22(14-10-20)24-16-15-19-5-3-2-4-6-19/h2-14,23H,15-17H2,1H3.
What are the key properties of 4-methyl-N-[[4-(2-phenylethoxy)phenyl]methyl]aniline?
4-methyl-N-[[4-(2-phenylethoxy)phenyl]methyl]aniline has a molecular weight of 317.43 g/mol, XLogP of 5.23, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[[4-(2-phenylethoxy)phenyl]methyl]aniline is sourced from PubChem (CID 54797347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).