4-[(E)-3-morpholin-4-ylprop-1-enyl]aniline

C13H18N2O — CID 121451952

IUPAC4-[(E)-3-morpholin-4-ylprop-1-enyl]aniline
SMILESNc1ccc(/C=C/CN2CCOCC2)cc1
InChIInChI=1S/C13H18N2O/c14-13-5-3-12(4-6-13)2-1-7-15-8-10-16-11-9-15/h1-6H,7-11,14H2/b2-1+
InChIKeyKDNWZIFXAKOCNP-OWOJBTEDSA-N
MW218.30 g/mol
LogP1.61
Rot. Bonds3

About 4-[(E)-3-morpholin-4-ylprop-1-enyl]aniline

4-[(E)-3-morpholin-4-ylprop-1-enyl]aniline (PubChem CID 121451952) has the molecular formula C13H18N2O and a molecular weight of 218.30 g/mol. Its IUPAC name is 4-[(E)-3-morpholin-4-ylprop-1-enyl]aniline.

Molecular Properties

Compound Name4-[(E)-3-morpholin-4-ylprop-1-enyl]aniline
PubChem CID121451952
Molecular FormulaC13H18N2O
Molecular Weight218.30 g/mol
Exact Mass218.14
IUPAC Name4-[(E)-3-morpholin-4-ylprop-1-enyl]aniline
SMILESNc1ccc(/C=C/CN2CCOCC2)cc1
InChIInChI=1S/C13H18N2O/c14-13-5-3-12(4-6-13)2-1-7-15-8-10-16-11-9-15/h1-6H,7-11,14H2/b2-1+
InChIKeyKDNWZIFXAKOCNP-OWOJBTEDSA-N
XLogP1.61
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethane;4-[(E)-3-(4-methylphenyl)prop-2-enyl]morpholine
CID 143719420
N,N-dimethyl-4-[(E)-3-morpholin-4-ylprop-1-enyl]aniline
CID 30981297
1-[4-(3-morpholin-4-ylprop-1-enyl)phenyl]-1,2,4-triazole-3,5-diamine
CID 66694812
4-[(E)-3-[4-[5-(chloromethyl)-1,3,4-oxadiazol-2-yl]phenyl]prop-2-enyl]morpholine
CID 164673258
4-[3-[4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenylidene)piperidin-1-yl]prop-1-enyl]aniline;dihydrochloride
CID 67855367
4-(6-morpholin-4-ylhexa-2,4-dienyl)morpholine
CID 53425931
4-(3-piperidin-1-ylprop-1-enyl)benzaldehyde
CID 54341299
[(3R,5S)-1-[3-(4-fluorophenyl)prop-2-enyl]-5-(morpholin-4-ylmethyl)piperidin-3-yl]methanol
CID 91940167
1-[(E)-3-phenylprop-2-enyl]azepane
CID 10867670
4-[4-(3-bromoprop-1-enyl)phenyl]morpholine
CID 169476236
4-(morpholin-4-ylmethyl)aniline;4-(piperidin-1-ylmethyl)aniline
CID 159454325
4-(1,4-oxazepan-4-ylmethyl)aniline
CID 62988786

Frequently Asked Questions

What is the IUPAC name of 4-[(E)-3-morpholin-4-ylprop-1-enyl]aniline?
The IUPAC name of 4-[(E)-3-morpholin-4-ylprop-1-enyl]aniline (CID 121451952) is 4-[(E)-3-morpholin-4-ylprop-1-enyl]aniline.
What is the SMILES notation for 4-[(E)-3-morpholin-4-ylprop-1-enyl]aniline?
The canonical SMILES for 4-[(E)-3-morpholin-4-ylprop-1-enyl]aniline is Nc1ccc(/C=C/CN2CCOCC2)cc1.
What is the InChIKey of 4-[(E)-3-morpholin-4-ylprop-1-enyl]aniline?
The InChIKey is KDNWZIFXAKOCNP-OWOJBTEDSA-N. The full InChI is InChI=1S/C13H18N2O/c14-13-5-3-12(4-6-13)2-1-7-15-8-10-16-11-9-15/h1-6H,7-11,14H2/b2-1+.
What are the key properties of 4-[(E)-3-morpholin-4-ylprop-1-enyl]aniline?
4-[(E)-3-morpholin-4-ylprop-1-enyl]aniline has a molecular weight of 218.30 g/mol, XLogP of 1.61, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-3-morpholin-4-ylprop-1-enyl]aniline is sourced from PubChem (CID 121451952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).