2-[1-(2,5-dimethoxyphenyl)ethenyl]aniline

C16H17NO2 — CID 86018625

IUPAC2-[1-(2,5-dimethoxyphenyl)ethenyl]aniline
SMILESC=C(c1ccccc1N)c1cc(OC)ccc1OC
InChIInChI=1S/C16H17NO2/c1-11(13-6-4-5-7-15(13)17)14-10-12(18-2)8-9-16(14)19-3/h4-10H,1,17H2,2-3H3
InChIKeyRTRALZFLBRVRSW-UHFFFAOYSA-N
MW255.32 g/mol
LogP3.35
Rot. Bonds4

About 2-[1-(2,5-dimethoxyphenyl)ethenyl]aniline

2-[1-(2,5-dimethoxyphenyl)ethenyl]aniline (PubChem CID 86018625) has the molecular formula C16H17NO2 and a molecular weight of 255.32 g/mol. Its IUPAC name is 2-[1-(2,5-dimethoxyphenyl)ethenyl]aniline.

Molecular Properties

Compound Name2-[1-(2,5-dimethoxyphenyl)ethenyl]aniline
PubChem CID86018625
Molecular FormulaC16H17NO2
Molecular Weight255.32 g/mol
Exact Mass255.13
IUPAC Name2-[1-(2,5-dimethoxyphenyl)ethenyl]aniline
SMILESC=C(c1ccccc1N)c1cc(OC)ccc1OC
InChIInChI=1S/C16H17NO2/c1-11(13-6-4-5-7-15(13)17)14-10-12(18-2)8-9-16(14)19-3/h4-10H,1,17H2,2-3H3
InChIKeyRTRALZFLBRVRSW-UHFFFAOYSA-N
XLogP3.35
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(2-aminophenoxy)-1-(2,5-dimethoxyphenyl)butan-1-one
CID 46307371
2-amino-N-(2,4-dimethoxyphenyl)benzamide
CID 902679
(2-chlorophenyl)-(2,5-dimethoxyphenyl)methanone
CID 623894
[4-(2-aminobenzoyl)piperazin-1-yl]-(2,4-dimethoxyphenyl)methanone
CID 119944903
3-amino-1-(2,5-dimethoxyphenyl)propan-1-one
CID 10149089
(2-amino-4-bromophenyl)-(2,5-dimethoxyphenyl)methanone
CID 116591846
(2,5-dimethoxyphenyl)-(2-iodophenyl)methanone
CID 15888023
(2-bromo-5-methoxyphenyl)-(2-methoxyphenyl)methanone
CID 105079993
1,4-dimethoxy-2-[(E)-1-phenylprop-1-enyl]benzene
CID 102370228
1,4-dimethoxy-2-[(Z)-1-phenylprop-1-enyl]benzene
CID 102082357
2,5-dimethoxyaniline;molecular hydrogen
CID 159599481
2-[(Z)-but-2-en-2-yl]-1,4-dimethoxybenzene
CID 10035483

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2,5-dimethoxyphenyl)ethenyl]aniline?
The IUPAC name of 2-[1-(2,5-dimethoxyphenyl)ethenyl]aniline (CID 86018625) is 2-[1-(2,5-dimethoxyphenyl)ethenyl]aniline.
What is the SMILES notation for 2-[1-(2,5-dimethoxyphenyl)ethenyl]aniline?
The canonical SMILES for 2-[1-(2,5-dimethoxyphenyl)ethenyl]aniline is C=C(c1ccccc1N)c1cc(OC)ccc1OC.
What is the InChIKey of 2-[1-(2,5-dimethoxyphenyl)ethenyl]aniline?
The InChIKey is RTRALZFLBRVRSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO2/c1-11(13-6-4-5-7-15(13)17)14-10-12(18-2)8-9-16(14)19-3/h4-10H,1,17H2,2-3H3.
What are the key properties of 2-[1-(2,5-dimethoxyphenyl)ethenyl]aniline?
2-[1-(2,5-dimethoxyphenyl)ethenyl]aniline has a molecular weight of 255.32 g/mol, XLogP of 3.35, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2,5-dimethoxyphenyl)ethenyl]aniline is sourced from PubChem (CID 86018625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).