3-methoxy-N-methyl-4-prop-1-en-2-ylaniline

C11H15NO — CID 143147515

IUPAC3-methoxy-N-methyl-4-prop-1-en-2-ylaniline
SMILESC=C(C)c1ccc(NC)cc1OC
InChIInChI=1S/C11H15NO/c1-8(2)10-6-5-9(12-3)7-11(10)13-4/h5-7,12H,1H2,2-4H3
InChIKeyROBFQNUBGYFJJD-UHFFFAOYSA-N
MW177.25 g/mol
LogP2.77
Rot. Bonds3

About 3-methoxy-N-methyl-4-prop-1-en-2-ylaniline

3-methoxy-N-methyl-4-prop-1-en-2-ylaniline (PubChem CID 143147515) has the molecular formula C11H15NO and a molecular weight of 177.25 g/mol. Its IUPAC name is 3-methoxy-N-methyl-4-prop-1-en-2-ylaniline.

Molecular Properties

Compound Name3-methoxy-N-methyl-4-prop-1-en-2-ylaniline
PubChem CID143147515
Molecular FormulaC11H15NO
Molecular Weight177.25 g/mol
Exact Mass177.12
IUPAC Name3-methoxy-N-methyl-4-prop-1-en-2-ylaniline
SMILESC=C(C)c1ccc(NC)cc1OC
InChIInChI=1S/C11H15NO/c1-8(2)10-6-5-9(12-3)7-11(10)13-4/h5-7,12H,1H2,2-4H3
InChIKeyROBFQNUBGYFJJD-UHFFFAOYSA-N
XLogP2.77
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.25
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

CID 171103061
CID 171103061
N-(4-acetyl-3-methoxyphenyl)acetamide
CID 13221159
N-[2-methoxy-5-(methylamino)phenyl]acetamide
CID 82649039
3-fluoro-4-methoxy-N-methylaniline
CID 21307269
ethane;4-methoxy-N,3-dimethylaniline
CID 142876075
4-ethoxy-3-methoxy-N-methylaniline
CID 63089329
[2-hydroxy-5-(methylamino)phenyl] hydrogen sulfate
CID 70399489
1-(4-amino-2-methoxyphenyl)ethenol
CID 89240422
N-ethyl-3-pentoxy-4-prop-1-en-2-ylaniline
CID 135141091
N-[[2-methoxy-5-(methylamino)phenyl]methyl]acetamide
CID 67557905
2-methoxy-5-(methylamino)benzaldehyde
CID 91654246
4-chloro-1-methoxy-2-prop-1-en-2-ylbenzene;ethane
CID 143014444

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-methyl-4-prop-1-en-2-ylaniline?
The IUPAC name of 3-methoxy-N-methyl-4-prop-1-en-2-ylaniline (CID 143147515) is 3-methoxy-N-methyl-4-prop-1-en-2-ylaniline.
What is the SMILES notation for 3-methoxy-N-methyl-4-prop-1-en-2-ylaniline?
The canonical SMILES for 3-methoxy-N-methyl-4-prop-1-en-2-ylaniline is C=C(C)c1ccc(NC)cc1OC.
What is the InChIKey of 3-methoxy-N-methyl-4-prop-1-en-2-ylaniline?
The InChIKey is ROBFQNUBGYFJJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO/c1-8(2)10-6-5-9(12-3)7-11(10)13-4/h5-7,12H,1H2,2-4H3.
What are the key properties of 3-methoxy-N-methyl-4-prop-1-en-2-ylaniline?
3-methoxy-N-methyl-4-prop-1-en-2-ylaniline has a molecular weight of 177.25 g/mol, XLogP of 2.77, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-methyl-4-prop-1-en-2-ylaniline is sourced from PubChem (CID 143147515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).