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

C12H17NO — CID 162444147

IUPACN-ethyl-2-methoxy-4-[(E)-prop-1-enyl]aniline
SMILESC/C=C/c1ccc(NCC)c(OC)c1
InChIInChI=1S/C12H17NO/c1-4-6-10-7-8-11(13-5-2)12(9-10)14-3/h4,6-9,13H,5H2,1-3H3/b6-4+
InChIKeyPFQIDQWVVKETAH-GQCTYLIASA-N
MW191.27 g/mol
LogP3.16
Rot. Bonds4

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

N-ethyl-2-methoxy-4-[(E)-prop-1-enyl]aniline (PubChem CID 162444147) has the molecular formula C12H17NO and a molecular weight of 191.27 g/mol. Its IUPAC name is N-ethyl-2-methoxy-4-[(E)-prop-1-enyl]aniline.

Molecular Properties

Compound NameN-ethyl-2-methoxy-4-[(E)-prop-1-enyl]aniline
PubChem CID162444147
Molecular FormulaC12H17NO
Molecular Weight191.27 g/mol
Exact Mass191.13
IUPAC NameN-ethyl-2-methoxy-4-[(E)-prop-1-enyl]aniline
SMILESC/C=C/c1ccc(NCC)c(OC)c1
InChIInChI=1S/C12H17NO/c1-4-6-10-7-8-11(13-5-2)12(9-10)14-3/h4,6-9,13H,5H2,1-3H3/b6-4+
InChIKeyPFQIDQWVVKETAH-GQCTYLIASA-N
XLogP3.16
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.27
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 23391843
2-methoxy-1-(2-methylbutan-2-yloxy)-4-[(Z)-prop-1-enyl]benzene
CID 177482757
4-methoxy-N-(2-methoxy-4-prop-1-enylphenyl)benzamide
CID 59979422
1-(2-methoxy-4-prop-1-enylphenoxy)butan-2-one
CID 76931733
2-methoxy-5-prop-1-enylaniline
CID 853489
2-methoxy-5-[(Z)-prop-1-enyl]aniline
CID 45052602
(E)-3-[3-[3-[5-[(E)-2-carboxyethenyl]-2-(ethylamino)phenoxy]propoxy]-4-(ethylamino)phenyl]prop-2-enoic acid
CID 59467294
2-fluoro-1-methoxy-4-[(Z)-prop-1-enyl]benzene
CID 89214700
2-hydroxyacetamide;2-methoxy-4-prop-1-enylphenol
CID 162206225
2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]ethanamine
CID 62582661
2-(2-methoxy-4-prop-1-enylphenoxy)butanehydrazide
CID 76999474
N-cyclopropyl-2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetamide
CID 7973430

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-methoxy-4-[(E)-prop-1-enyl]aniline?
The IUPAC name of N-ethyl-2-methoxy-4-[(E)-prop-1-enyl]aniline (CID 162444147) is N-ethyl-2-methoxy-4-[(E)-prop-1-enyl]aniline.
What is the SMILES notation for N-ethyl-2-methoxy-4-[(E)-prop-1-enyl]aniline?
The canonical SMILES for N-ethyl-2-methoxy-4-[(E)-prop-1-enyl]aniline is C/C=C/c1ccc(NCC)c(OC)c1.
What is the InChIKey of N-ethyl-2-methoxy-4-[(E)-prop-1-enyl]aniline?
The InChIKey is PFQIDQWVVKETAH-GQCTYLIASA-N. The full InChI is InChI=1S/C12H17NO/c1-4-6-10-7-8-11(13-5-2)12(9-10)14-3/h4,6-9,13H,5H2,1-3H3/b6-4+.
What are the key properties of N-ethyl-2-methoxy-4-[(E)-prop-1-enyl]aniline?
N-ethyl-2-methoxy-4-[(E)-prop-1-enyl]aniline has a molecular weight of 191.27 g/mol, XLogP of 3.16, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-methoxy-4-[(E)-prop-1-enyl]aniline is sourced from PubChem (CID 162444147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).