(E)-3-(2-methoxy-5-morpholin-4-ylphenyl)prop-2-en-1-amine

C14H20N2O2 — CID 117374281

IUPAC(E)-3-(2-methoxy-5-morpholin-4-ylphenyl)prop-2-en-1-amine
SMILESCOc1ccc(N2CCOCC2)cc1/C=C/CN
InChIInChI=1S/C14H20N2O2/c1-17-14-5-4-13(11-12(14)3-2-6-15)16-7-9-18-10-8-16/h2-5,11H,6-10,15H2,1H3/b3-2+
InChIKeyFLFAMQBQPLTWCX-NSCUHMNNSA-N
MW248.33 g/mol
LogP1.50
Rot. Bonds4

About (E)-3-(2-methoxy-5-morpholin-4-ylphenyl)prop-2-en-1-amine

(E)-3-(2-methoxy-5-morpholin-4-ylphenyl)prop-2-en-1-amine (PubChem CID 117374281) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is (E)-3-(2-methoxy-5-morpholin-4-ylphenyl)prop-2-en-1-amine.

Molecular Properties

Compound Name(E)-3-(2-methoxy-5-morpholin-4-ylphenyl)prop-2-en-1-amine
PubChem CID117374281
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name(E)-3-(2-methoxy-5-morpholin-4-ylphenyl)prop-2-en-1-amine
SMILESCOc1ccc(N2CCOCC2)cc1/C=C/CN
InChIInChI=1S/C14H20N2O2/c1-17-14-5-4-13(11-12(14)3-2-6-15)16-7-9-18-10-8-16/h2-5,11H,6-10,15H2,1H3/b3-2+
InChIKeyFLFAMQBQPLTWCX-NSCUHMNNSA-N
XLogP1.50
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

2-amino-1-(2-methoxy-5-morpholin-4-ylphenyl)ethanol
CID 117384184
3-(2-methoxy-5-morpholin-4-ylphenyl)butan-1-amine
CID 117415712
(E)-4-(2-methoxy-4-morpholin-4-ylphenyl)-2-oxobut-3-enoic acid
CID 126743116
4-[3,5-dimethoxy-4-[(2-methoxy-4-morpholin-4-ylphenyl)methyl]phenyl]morpholine
CID 135200868
(E)-3-(4-fluoro-2-morpholin-4-ylphenyl)prop-2-en-1-amine
CID 115111111
1-(2-methoxy-5-morpholin-4-ylphenyl)cyclohexan-1-amine
CID 117469481
4-(3,4-diethoxyphenyl)morpholine
CID 154477521
4-[4-(1,1-dimethoxyethyl)-3-methoxyphenyl]morpholine
CID 174708451
3-(2-methoxy-5-morpholin-4-ylphenyl)propanoic acid
CID 117417021
N-(2-methoxy-5-morpholin-4-ylphenyl)pentanamide
CID 110359739
4-(2-methoxy-5-morpholin-4-ylphenyl)-1-methylpyrazol-5-amine
CID 117465938
4-[4-(5-fluoro-2-methoxyphenyl)phenyl]morpholine
CID 131890518

Frequently Asked Questions

What is the IUPAC name of (E)-3-(2-methoxy-5-morpholin-4-ylphenyl)prop-2-en-1-amine?
The IUPAC name of (E)-3-(2-methoxy-5-morpholin-4-ylphenyl)prop-2-en-1-amine (CID 117374281) is (E)-3-(2-methoxy-5-morpholin-4-ylphenyl)prop-2-en-1-amine.
What is the SMILES notation for (E)-3-(2-methoxy-5-morpholin-4-ylphenyl)prop-2-en-1-amine?
The canonical SMILES for (E)-3-(2-methoxy-5-morpholin-4-ylphenyl)prop-2-en-1-amine is COc1ccc(N2CCOCC2)cc1/C=C/CN.
What is the InChIKey of (E)-3-(2-methoxy-5-morpholin-4-ylphenyl)prop-2-en-1-amine?
The InChIKey is FLFAMQBQPLTWCX-NSCUHMNNSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-17-14-5-4-13(11-12(14)3-2-6-15)16-7-9-18-10-8-16/h2-5,11H,6-10,15H2,1H3/b3-2+.
What are the key properties of (E)-3-(2-methoxy-5-morpholin-4-ylphenyl)prop-2-en-1-amine?
(E)-3-(2-methoxy-5-morpholin-4-ylphenyl)prop-2-en-1-amine has a molecular weight of 248.33 g/mol, XLogP of 1.50, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(2-methoxy-5-morpholin-4-ylphenyl)prop-2-en-1-amine is sourced from PubChem (CID 117374281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).