2-methoxy-5-prop-1-enylaniline

C10H13NO — CID 853489

IUPAC2-methoxy-5-prop-1-enylaniline
SMILESCC=Cc1ccc(OC)c(N)c1
InChIInChI=1S/C10H13NO/c1-3-4-8-5-6-10(12-2)9(11)7-8/h3-7H,11H2,1-2H3
InChIKeyPZIDOSMYTMUSKG-UHFFFAOYSA-N
MW163.22 g/mol
LogP2.31
Rot. Bonds2

About 2-methoxy-5-prop-1-enylaniline

2-methoxy-5-prop-1-enylaniline (PubChem CID 853489) has the molecular formula C10H13NO and a molecular weight of 163.22 g/mol. Its IUPAC name is 2-methoxy-5-prop-1-enylaniline.

Molecular Properties

Compound Name2-methoxy-5-prop-1-enylaniline
PubChem CID853489
Molecular FormulaC10H13NO
Molecular Weight163.22 g/mol
Exact Mass163.10
IUPAC Name2-methoxy-5-prop-1-enylaniline
SMILESCC=Cc1ccc(OC)c(N)c1
InChIInChI=1S/C10H13NO/c1-3-4-8-5-6-10(12-2)9(11)7-8/h3-7H,11H2,1-2H3
InChIKeyPZIDOSMYTMUSKG-UHFFFAOYSA-N
XLogP2.31
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.22
LogP ≤ 52.31
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-methoxy-5-[(Z)-prop-1-enyl]aniline
CID 45052602
2-methoxy-5-[2-(3,4,5-trimethoxyphenyl)ethenyl]aniline
CID 53415045
2-fluoro-1-methoxy-4-[(Z)-prop-1-enyl]benzene
CID 89214700
3-(3-amino-4-methoxyphenyl)prop-2-en-1-ol
CID 66664968
2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]ethanamine
CID 62582661
(E)-3-(3-amino-4-methoxyphenyl)-N,N-dimethylprop-2-enamide
CID 39244350
2-(2-methoxy-5-prop-1-enylphenyl)-4-prop-1-enylphenol
CID 163022116
tert-butyl (E)-3-(3-amino-4-methoxyphenyl)prop-2-enoate
CID 42640186
5-(3-amino-4-methoxyphenyl)-2-methoxyaniline
CID 22646067
2-(4-fluorophenyl)-1-methoxy-4-prop-1-enylbenzene
CID 141071420
1,2-dimethoxy-4-penta-1,3-dienylbenzene
CID 141114401
5-[(Z)-2-(3-ethoxy-5-methoxyphenyl)ethenyl]-2-methoxyaniline;hydrochloride
CID 25050180

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-5-prop-1-enylaniline?
The IUPAC name of 2-methoxy-5-prop-1-enylaniline (CID 853489) is 2-methoxy-5-prop-1-enylaniline.
What is the SMILES notation for 2-methoxy-5-prop-1-enylaniline?
The canonical SMILES for 2-methoxy-5-prop-1-enylaniline is CC=Cc1ccc(OC)c(N)c1.
What is the InChIKey of 2-methoxy-5-prop-1-enylaniline?
The InChIKey is PZIDOSMYTMUSKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO/c1-3-4-8-5-6-10(12-2)9(11)7-8/h3-7H,11H2,1-2H3.
What are the key properties of 2-methoxy-5-prop-1-enylaniline?
2-methoxy-5-prop-1-enylaniline has a molecular weight of 163.22 g/mol, XLogP of 2.31, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-5-prop-1-enylaniline is sourced from PubChem (CID 853489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).