2-ethenyl-6-methyl-4-phenylmethoxyaniline

C16H17NO — CID 143575474

IUPAC2-ethenyl-6-methyl-4-phenylmethoxyaniline
SMILESC=Cc1cc(OCc2ccccc2)cc(C)c1N
InChIInChI=1S/C16H17NO/c1-3-14-10-15(9-12(2)16(14)17)18-11-13-7-5-4-6-8-13/h3-10H,1,11,17H2,2H3
InChIKeyGDTTZNXEWRMVNT-UHFFFAOYSA-N
MW239.32 g/mol
LogP3.80
Rot. Bonds4

About 2-ethenyl-6-methyl-4-phenylmethoxyaniline

2-ethenyl-6-methyl-4-phenylmethoxyaniline (PubChem CID 143575474) has the molecular formula C16H17NO and a molecular weight of 239.32 g/mol. Its IUPAC name is 2-ethenyl-6-methyl-4-phenylmethoxyaniline.

Molecular Properties

Compound Name2-ethenyl-6-methyl-4-phenylmethoxyaniline
PubChem CID143575474
Molecular FormulaC16H17NO
Molecular Weight239.32 g/mol
Exact Mass239.13
IUPAC Name2-ethenyl-6-methyl-4-phenylmethoxyaniline
SMILESC=Cc1cc(OCc2ccccc2)cc(C)c1N
InChIInChI=1S/C16H17NO/c1-3-14-10-15(9-12(2)16(14)17)18-11-13-7-5-4-6-8-13/h3-10H,1,11,17H2,2H3
InChIKeyGDTTZNXEWRMVNT-UHFFFAOYSA-N
XLogP3.80
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-ethenyl-2-methyl-3,5-bis(phenylmethoxy)benzene
CID 123206589
4-[(4-methoxyphenyl)methoxy]-2,6-dimethylaniline
CID 170076319
2-ethenyl-3-phenylmethoxynaphthalene
CID 102243769
4-amino-3-ethenyl-5-methylphenol;toluene
CID 143575640
2-methyl-4,6-bis(phenylmethoxy)phenol
CID 11301646
[(2,6-dimethyl-4-phenylmethoxyphenyl)methylideneamino]thiourea
CID 168536428
2-methyl-4,6-bis(phenylmethoxy)benzaldehyde
CID 11359497
1,3-bis[[3,5-bis[[3,5-bis[[3,5-bis(phenylmethoxy)phenyl]methoxy]phenyl]methoxy]phenyl]methoxy]-5-methylbenzene
CID 102395902
3-methoxy-5-phenylmethoxyaniline
CID 12658785
2-methyl-4-phenylmethoxybenzenethiol
CID 142266616
2-(2-ethenyl-4-phenylmethoxyphenoxy)acetic acid
CID 22261154
4-(2,6-dimethyl-4-phenylmethoxyphenyl)tricyclo[5.2.2.02,6]undecane-3,5-dione
CID 66709648

Frequently Asked Questions

What is the IUPAC name of 2-ethenyl-6-methyl-4-phenylmethoxyaniline?
The IUPAC name of 2-ethenyl-6-methyl-4-phenylmethoxyaniline (CID 143575474) is 2-ethenyl-6-methyl-4-phenylmethoxyaniline.
What is the SMILES notation for 2-ethenyl-6-methyl-4-phenylmethoxyaniline?
The canonical SMILES for 2-ethenyl-6-methyl-4-phenylmethoxyaniline is C=Cc1cc(OCc2ccccc2)cc(C)c1N.
What is the InChIKey of 2-ethenyl-6-methyl-4-phenylmethoxyaniline?
The InChIKey is GDTTZNXEWRMVNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO/c1-3-14-10-15(9-12(2)16(14)17)18-11-13-7-5-4-6-8-13/h3-10H,1,11,17H2,2H3.
What are the key properties of 2-ethenyl-6-methyl-4-phenylmethoxyaniline?
2-ethenyl-6-methyl-4-phenylmethoxyaniline has a molecular weight of 239.32 g/mol, XLogP of 3.80, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenyl-6-methyl-4-phenylmethoxyaniline is sourced from PubChem (CID 143575474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).