3-(2-morpholin-4-ylphenyl)prop-2-en-1-amine

C13H18N2O — CID 169464674

IUPAC3-(2-morpholin-4-ylphenyl)prop-2-en-1-amine
SMILESNCC=Cc1ccccc1N1CCOCC1
InChIInChI=1S/C13H18N2O/c14-7-3-5-12-4-1-2-6-13(12)15-8-10-16-11-9-15/h1-6H,7-11,14H2
InChIKeyIRTDPQIGPWLQSQ-UHFFFAOYSA-N
MW218.30 g/mol
LogP1.50
Rot. Bonds3

About 3-(2-morpholin-4-ylphenyl)prop-2-en-1-amine

3-(2-morpholin-4-ylphenyl)prop-2-en-1-amine (PubChem CID 169464674) has the molecular formula C13H18N2O and a molecular weight of 218.30 g/mol. Its IUPAC name is 3-(2-morpholin-4-ylphenyl)prop-2-en-1-amine.

Molecular Properties

Compound Name3-(2-morpholin-4-ylphenyl)prop-2-en-1-amine
PubChem CID169464674
Molecular FormulaC13H18N2O
Molecular Weight218.30 g/mol
Exact Mass218.14
IUPAC Name3-(2-morpholin-4-ylphenyl)prop-2-en-1-amine
SMILESNCC=Cc1ccccc1N1CCOCC1
InChIInChI=1S/C13H18N2O/c14-7-3-5-12-4-1-2-6-13(12)15-8-10-16-11-9-15/h1-6H,7-11,14H2
InChIKeyIRTDPQIGPWLQSQ-UHFFFAOYSA-N
XLogP1.50
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 ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(E)-3-(2-pyrrolidin-1-ylphenyl)prop-2-en-1-amine
CID 117291108
N-methyl-3-(2-morpholin-4-ylphenyl)prop-2-en-1-amine
CID 169474776
(E)-3-(4-fluoro-2-morpholin-4-ylphenyl)prop-2-en-1-amine
CID 115111111
9H-fluoren-9-ylmethyl N-[3-(2-morpholin-4-ylphenyl)prop-2-enyl]carbamate
CID 169470801
(E)-3-[2-(oxan-4-yloxy)phenyl]prop-2-en-1-amine
CID 117338379
(E)-3-(2-methoxy-5-morpholin-4-ylphenyl)prop-2-en-1-amine
CID 117374281
10-(2-iodophenyl)-1,4,7-trioxa-10-azacyclododecane
CID 101167141
2-amino-1-(2-morpholin-4-ylphenyl)ethanol
CID 82617214
5-[(2-morpholin-4-ylphenyl)methylidene]-1,3-thiazolidine-2,4-dione
CID 75571053
(1R)-3-amino-1-(2-morpholin-4-ylphenyl)propan-1-ol
CID 96818422
[3-(aminomethyl)pyrrolidin-1-yl]-(2-morpholin-4-ylphenyl)methanone
CID 119486562
(E)-4-[4-(2-chlorophenyl)piperazin-1-yl]but-2-en-1-amine
CID 66046563

Frequently Asked Questions

What is the IUPAC name of 3-(2-morpholin-4-ylphenyl)prop-2-en-1-amine?
The IUPAC name of 3-(2-morpholin-4-ylphenyl)prop-2-en-1-amine (CID 169464674) is 3-(2-morpholin-4-ylphenyl)prop-2-en-1-amine.
What is the SMILES notation for 3-(2-morpholin-4-ylphenyl)prop-2-en-1-amine?
The canonical SMILES for 3-(2-morpholin-4-ylphenyl)prop-2-en-1-amine is NCC=Cc1ccccc1N1CCOCC1.
What is the InChIKey of 3-(2-morpholin-4-ylphenyl)prop-2-en-1-amine?
The InChIKey is IRTDPQIGPWLQSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O/c14-7-3-5-12-4-1-2-6-13(12)15-8-10-16-11-9-15/h1-6H,7-11,14H2.
What are the key properties of 3-(2-morpholin-4-ylphenyl)prop-2-en-1-amine?
3-(2-morpholin-4-ylphenyl)prop-2-en-1-amine has a molecular weight of 218.30 g/mol, XLogP of 1.50, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-morpholin-4-ylphenyl)prop-2-en-1-amine is sourced from PubChem (CID 169464674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).