3-morpholin-4-yl-N-[(2-prop-2-enoxyphenyl)methyl]propan-1-amine

C17H26N2O2 — CID 2214046

IUPAC3-morpholin-4-yl-N-[(2-prop-2-enoxyphenyl)methyl]propan-1-amine
SMILESC=CCOc1ccccc1CNCCCN1CCOCC1
InChIInChI=1S/C17H26N2O2/c1-2-12-21-17-7-4-3-6-16(17)15-18-8-5-9-19-10-13-20-14-11-19/h2-4,6-7,18H,1,5,8-15H2
InChIKeyJVXFAFAZDCJBKJ-UHFFFAOYSA-N
MW290.41 g/mol
LogP2.06
Rot. Bonds9

About 3-morpholin-4-yl-N-[(2-prop-2-enoxyphenyl)methyl]propan-1-amine

3-morpholin-4-yl-N-[(2-prop-2-enoxyphenyl)methyl]propan-1-amine (PubChem CID 2214046) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is 3-morpholin-4-yl-N-[(2-prop-2-enoxyphenyl)methyl]propan-1-amine.

Molecular Properties

Compound Name3-morpholin-4-yl-N-[(2-prop-2-enoxyphenyl)methyl]propan-1-amine
PubChem CID2214046
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name3-morpholin-4-yl-N-[(2-prop-2-enoxyphenyl)methyl]propan-1-amine
SMILESC=CCOc1ccccc1CNCCCN1CCOCC1
InChIInChI=1S/C17H26N2O2/c1-2-12-21-17-7-4-3-6-16(17)15-18-8-5-9-19-10-13-20-14-11-19/h2-4,6-7,18H,1,5,8-15H2
InChIKeyJVXFAFAZDCJBKJ-UHFFFAOYSA-N
XLogP2.06
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[(5-chloro-2-prop-2-enoxyphenyl)methyl]-3-morpholin-4-ylpropan-1-amine;hydrochloride
CID 11958772
N-[[2-[(4-fluorophenyl)methoxy]phenyl]methyl]-3-morpholin-4-ylpropan-1-amine;dihydrochloride
CID 17289404
N-[(2-methoxyphenyl)methyl]-3-morpholin-4-ylpropan-1-amine;oxalic acid
CID 17053127
N-[(3-methoxy-4-prop-2-enoxyphenyl)methyl]-3-morpholin-4-ylpropan-1-amine
CID 4715809
N-[(2-methylphenyl)methyl]-3-morpholin-4-ylpropan-1-amine;dihydrochloride
CID 6456981
1-[2-(furan-2-yl)ethyl]-3-(3-morpholin-4-ylpropyl)-2-[(2-prop-2-enoxyphenyl)methyl]guanidine
CID 111556159
2-[(2-prop-2-enoxyphenyl)methylamino]ethanol
CID 7937309
N-[(2-prop-2-enoxyphenyl)methyl]pent-4-yn-1-amine
CID 103701789
4-[(2-prop-2-enoxyphenyl)methylamino]butanamide
CID 60865208
2-methyl-1-[(2-prop-2-enoxyphenyl)methyl]-3-(3-pyrrolidin-1-ylpropyl)guanidine
CID 111555967
N-[[2-[(4-methylphenyl)methoxy]phenyl]methyl]-2-morpholin-4-ylethanamine;dihydrochloride
CID 6471431
2-[2-methoxy-6-[(3-morpholin-4-ylpropylamino)methyl]phenoxy]acetamide
CID 17053298

Frequently Asked Questions

What is the IUPAC name of 3-morpholin-4-yl-N-[(2-prop-2-enoxyphenyl)methyl]propan-1-amine?
The IUPAC name of 3-morpholin-4-yl-N-[(2-prop-2-enoxyphenyl)methyl]propan-1-amine (CID 2214046) is 3-morpholin-4-yl-N-[(2-prop-2-enoxyphenyl)methyl]propan-1-amine.
What is the SMILES notation for 3-morpholin-4-yl-N-[(2-prop-2-enoxyphenyl)methyl]propan-1-amine?
The canonical SMILES for 3-morpholin-4-yl-N-[(2-prop-2-enoxyphenyl)methyl]propan-1-amine is C=CCOc1ccccc1CNCCCN1CCOCC1.
What is the InChIKey of 3-morpholin-4-yl-N-[(2-prop-2-enoxyphenyl)methyl]propan-1-amine?
The InChIKey is JVXFAFAZDCJBKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-2-12-21-17-7-4-3-6-16(17)15-18-8-5-9-19-10-13-20-14-11-19/h2-4,6-7,18H,1,5,8-15H2.
What are the key properties of 3-morpholin-4-yl-N-[(2-prop-2-enoxyphenyl)methyl]propan-1-amine?
3-morpholin-4-yl-N-[(2-prop-2-enoxyphenyl)methyl]propan-1-amine has a molecular weight of 290.41 g/mol, XLogP of 2.06, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-morpholin-4-yl-N-[(2-prop-2-enoxyphenyl)methyl]propan-1-amine is sourced from PubChem (CID 2214046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).