5-ethyl-4-methoxy-2-[(E)-prop-1-enyl]aniline

C12H17NO — CID 143658622

IUPAC5-ethyl-4-methoxy-2-[(E)-prop-1-enyl]aniline
SMILESC/C=C/c1cc(OC)c(CC)cc1N
InChIInChI=1S/C12H17NO/c1-4-6-10-8-12(14-3)9(5-2)7-11(10)13/h4,6-8H,5,13H2,1-3H3/b6-4+
InChIKeyMRIMBZYEPGFTJU-GQCTYLIASA-N
MW191.27 g/mol
LogP2.87
Rot. Bonds3

About 5-ethyl-4-methoxy-2-[(E)-prop-1-enyl]aniline

5-ethyl-4-methoxy-2-[(E)-prop-1-enyl]aniline (PubChem CID 143658622) has the molecular formula C12H17NO and a molecular weight of 191.27 g/mol. Its IUPAC name is 5-ethyl-4-methoxy-2-[(E)-prop-1-enyl]aniline.

Molecular Properties

Compound Name5-ethyl-4-methoxy-2-[(E)-prop-1-enyl]aniline
PubChem CID143658622
Molecular FormulaC12H17NO
Molecular Weight191.27 g/mol
Exact Mass191.13
IUPAC Name5-ethyl-4-methoxy-2-[(E)-prop-1-enyl]aniline
SMILESC/C=C/c1cc(OC)c(CC)cc1N
InChIInChI=1S/C12H17NO/c1-4-6-10-8-12(14-3)9(5-2)7-11(10)13/h4,6-8H,5,13H2,1-3H3/b6-4+
InChIKeyMRIMBZYEPGFTJU-GQCTYLIASA-N
XLogP2.87
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.27
LogP ≤ 52.87
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

[2,5-dimethoxy-4-[(E)-prop-1-enyl]phenyl]methanol
CID 90161973
1,2,4-trimethoxy-5-prop-1-enylbenzene
CID 17903
2-amino-4,5-dimethoxybenzaldehyde
CID 10888543
1-chloro-4,5-dimethoxy-2-[(E)-prop-1-enyl]benzene
CID 46906491
2-methoxy-5-[(Z)-prop-1-enyl]aniline
CID 45052602
2-(4,5-diamino-2-methoxyphenyl)acetic acid
CID 171010739
2-methoxy-5-prop-1-enylaniline
CID 853489
1-bromo-5-ethyl-2,4-dimethoxybenzene
CID 58764118
1-chloro-4-ethyl-2,5-dimethoxybenzene
CID 71132798
2,5-diethyl-4-methoxyphenol
CID 162375149
3-methoxy-2-[(E)-prop-1-enyl]aniline
CID 131242530
(E)-3-(2-acetamido-4-ethyl-5-methoxyphenyl)prop-2-enoic acid
CID 143125491

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-4-methoxy-2-[(E)-prop-1-enyl]aniline?
The IUPAC name of 5-ethyl-4-methoxy-2-[(E)-prop-1-enyl]aniline (CID 143658622) is 5-ethyl-4-methoxy-2-[(E)-prop-1-enyl]aniline.
What is the SMILES notation for 5-ethyl-4-methoxy-2-[(E)-prop-1-enyl]aniline?
The canonical SMILES for 5-ethyl-4-methoxy-2-[(E)-prop-1-enyl]aniline is C/C=C/c1cc(OC)c(CC)cc1N.
What is the InChIKey of 5-ethyl-4-methoxy-2-[(E)-prop-1-enyl]aniline?
The InChIKey is MRIMBZYEPGFTJU-GQCTYLIASA-N. The full InChI is InChI=1S/C12H17NO/c1-4-6-10-8-12(14-3)9(5-2)7-11(10)13/h4,6-8H,5,13H2,1-3H3/b6-4+.
What are the key properties of 5-ethyl-4-methoxy-2-[(E)-prop-1-enyl]aniline?
5-ethyl-4-methoxy-2-[(E)-prop-1-enyl]aniline has a molecular weight of 191.27 g/mol, XLogP of 2.87, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-4-methoxy-2-[(E)-prop-1-enyl]aniline is sourced from PubChem (CID 143658622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).