2-[(Z)-1-aminoprop-1-en-2-yl]-5-methoxyaniline;ethane

C12H20N2O — CID 163274592

IUPAC2-[(Z)-1-aminoprop-1-en-2-yl]-5-methoxyaniline;ethane
SMILESCC.COc1ccc(/C(C)=C\N)c(N)c1
InChIInChI=1S/C10H14N2O.C2H6/c1-7(6-11)9-4-3-8(13-2)5-10(9)12;1-2/h3-6H,11-12H2,1-2H3;1-2H3/b7-6-;
InChIKeyVNMXGLITYOANEE-NAFXZHHSSA-N
MW208.30 g/mol
LogP2.62
Rot. Bonds2

About 2-[(Z)-1-aminoprop-1-en-2-yl]-5-methoxyaniline;ethane

2-[(Z)-1-aminoprop-1-en-2-yl]-5-methoxyaniline;ethane (PubChem CID 163274592) has the molecular formula C12H20N2O and a molecular weight of 208.30 g/mol. Its IUPAC name is 2-[(Z)-1-aminoprop-1-en-2-yl]-5-methoxyaniline;ethane.

Molecular Properties

Compound Name2-[(Z)-1-aminoprop-1-en-2-yl]-5-methoxyaniline;ethane
PubChem CID163274592
Molecular FormulaC12H20N2O
Molecular Weight208.30 g/mol
Exact Mass208.16
IUPAC Name2-[(Z)-1-aminoprop-1-en-2-yl]-5-methoxyaniline;ethane
SMILESCC.COc1ccc(/C(C)=C\N)c(N)c1
InChIInChI=1S/C10H14N2O.C2H6/c1-7(6-11)9-4-3-8(13-2)5-10(9)12;1-2/h3-6H,11-12H2,1-2H3;1-2H3/b7-6-;
InChIKeyVNMXGLITYOANEE-NAFXZHHSSA-N
XLogP2.62
TPSA61.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-amino-N'-hydroxy-4-methoxybenzenecarboximidamide
CID 83385991
2-amino-N-hydroxy-4-methoxybenzamide
CID 115413301
2-amino-1-(2-amino-4-methoxyphenyl)ethanone
CID 105438694
(E)-2-amino-1-(2-amino-4-methoxyphenyl)-3-hydroxyprop-2-en-1-one
CID 156713473
1-(2-amino-4-methoxyphenyl)-2,2-dichloroethanone
CID 45117929
2-amino-4-methoxy-N-propan-2-ylbenzamide
CID 14274445
1-[2-amino-4-(3,5-dimethoxyphenoxy)phenyl]ethanone
CID 104529311
(2-amino-4-methoxyphenyl)-(3-methoxyphenyl)methanone
CID 22229235
2-amino-4-methoxy-N-(2-methoxyethoxy)benzamide
CID 82721345
2-(2-amino-4-methoxyphenyl)-2-iminoacetic acid
CID 178117421
(2-amino-4-methoxyphenyl)-(2-chlorophenyl)methanone
CID 116602267
2-amino-5-methoxybenzamide;ethane
CID 142071126

Frequently Asked Questions

What is the IUPAC name of 2-[(Z)-1-aminoprop-1-en-2-yl]-5-methoxyaniline;ethane?
The IUPAC name of 2-[(Z)-1-aminoprop-1-en-2-yl]-5-methoxyaniline;ethane (CID 163274592) is 2-[(Z)-1-aminoprop-1-en-2-yl]-5-methoxyaniline;ethane.
What is the SMILES notation for 2-[(Z)-1-aminoprop-1-en-2-yl]-5-methoxyaniline;ethane?
The canonical SMILES for 2-[(Z)-1-aminoprop-1-en-2-yl]-5-methoxyaniline;ethane is CC.COc1ccc(/C(C)=C\N)c(N)c1.
What is the InChIKey of 2-[(Z)-1-aminoprop-1-en-2-yl]-5-methoxyaniline;ethane?
The InChIKey is VNMXGLITYOANEE-NAFXZHHSSA-N. The full InChI is InChI=1S/C10H14N2O.C2H6/c1-7(6-11)9-4-3-8(13-2)5-10(9)12;1-2/h3-6H,11-12H2,1-2H3;1-2H3/b7-6-;.
What are the key properties of 2-[(Z)-1-aminoprop-1-en-2-yl]-5-methoxyaniline;ethane?
2-[(Z)-1-aminoprop-1-en-2-yl]-5-methoxyaniline;ethane has a molecular weight of 208.30 g/mol, XLogP of 2.62, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-1-aminoprop-1-en-2-yl]-5-methoxyaniline;ethane is sourced from PubChem (CID 163274592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).