N-[(3-methoxy-4-prop-2-enoxyphenyl)methyl]-3-morpholin-4-ylpropan-1-amine

C18H28N2O3 — CID 4715809

IUPACN-[(3-methoxy-4-prop-2-enoxyphenyl)methyl]-3-morpholin-4-ylpropan-1-amine
SMILESC=CCOc1ccc(CNCCCN2CCOCC2)cc1OC
InChIInChI=1S/C18H28N2O3/c1-3-11-23-17-6-5-16(14-18(17)21-2)15-19-7-4-8-20-9-12-22-13-10-20/h3,5-6,14,19H,1,4,7-13,15H2,2H3
InChIKeyLJWSSCIDQMATJM-UHFFFAOYSA-N
MW320.43 g/mol
LogP2.07
Rot. Bonds10

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

N-[(3-methoxy-4-prop-2-enoxyphenyl)methyl]-3-morpholin-4-ylpropan-1-amine (PubChem CID 4715809) has the molecular formula C18H28N2O3 and a molecular weight of 320.43 g/mol. Its IUPAC name is N-[(3-methoxy-4-prop-2-enoxyphenyl)methyl]-3-morpholin-4-ylpropan-1-amine.

Molecular Properties

Compound NameN-[(3-methoxy-4-prop-2-enoxyphenyl)methyl]-3-morpholin-4-ylpropan-1-amine
PubChem CID4715809
Molecular FormulaC18H28N2O3
Molecular Weight320.43 g/mol
Exact Mass320.21
IUPAC NameN-[(3-methoxy-4-prop-2-enoxyphenyl)methyl]-3-morpholin-4-ylpropan-1-amine
SMILESC=CCOc1ccc(CNCCCN2CCOCC2)cc1OC
InChIInChI=1S/C18H28N2O3/c1-3-11-23-17-6-5-16(14-18(17)21-2)15-19-7-4-8-20-9-12-22-13-10-20/h3,5-6,14,19H,1,4,7-13,15H2,2H3
InChIKeyLJWSSCIDQMATJM-UHFFFAOYSA-N
XLogP2.07
TPSA42.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.43
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-[(4-ethoxy-3-methoxyphenyl)methyl]-3-morpholin-4-ylpropan-1-amine
CID 3160557
N-[[3-methoxy-4-[(4-methylphenyl)methoxy]phenyl]methyl]-3-morpholin-4-ylpropan-1-amine
CID 4719269
N-[(3-chloro-4-methoxyphenyl)methyl]-3-morpholin-4-ylpropan-1-amine
CID 29241559
N-[(4-cyclopentyloxy-3-methoxyphenyl)methyl]-3-morpholin-4-ylpropan-1-amine
CID 2978951
2-methoxy-4-[(3-morpholin-4-ylpropylamino)methyl]benzonitrile
CID 106787055
3-methoxy-N-[(3-methoxy-4-prop-2-enoxyphenyl)methyl]propan-1-amine
CID 17206660
(2S)-1-[2-methoxy-4-[(3-morpholin-4-ylpropylamino)methyl]phenoxy]-3-thiomorpholin-4-ylpropan-2-ol
CID 29024130
2-[2-methoxy-4-[(3-morpholin-4-ylpropylamino)methyl]phenoxy]-N-(4-methoxyphenyl)acetamide
CID 2981319
N-[[4-[(2-chloro-4-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]-3-morpholin-4-ylpropan-1-amine;dihydrochloride
CID 17293680
N-[(3-methoxy-4-prop-2-enoxyphenyl)methyl]hexan-1-amine
CID 4716850
N-[(5-chloro-2-prop-2-enoxyphenyl)methyl]-3-morpholin-4-ylpropan-1-amine;hydrochloride
CID 11958772
3-morpholin-4-yl-N-[(2-prop-2-enoxyphenyl)methyl]propan-1-amine
CID 2214046

Frequently Asked Questions

What is the IUPAC name of N-[(3-methoxy-4-prop-2-enoxyphenyl)methyl]-3-morpholin-4-ylpropan-1-amine?
The IUPAC name of N-[(3-methoxy-4-prop-2-enoxyphenyl)methyl]-3-morpholin-4-ylpropan-1-amine (CID 4715809) is N-[(3-methoxy-4-prop-2-enoxyphenyl)methyl]-3-morpholin-4-ylpropan-1-amine.
What is the SMILES notation for N-[(3-methoxy-4-prop-2-enoxyphenyl)methyl]-3-morpholin-4-ylpropan-1-amine?
The canonical SMILES for N-[(3-methoxy-4-prop-2-enoxyphenyl)methyl]-3-morpholin-4-ylpropan-1-amine is C=CCOc1ccc(CNCCCN2CCOCC2)cc1OC.
What is the InChIKey of N-[(3-methoxy-4-prop-2-enoxyphenyl)methyl]-3-morpholin-4-ylpropan-1-amine?
The InChIKey is LJWSSCIDQMATJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O3/c1-3-11-23-17-6-5-16(14-18(17)21-2)15-19-7-4-8-20-9-12-22-13-10-20/h3,5-6,14,19H,1,4,7-13,15H2,2H3.
What are the key properties of N-[(3-methoxy-4-prop-2-enoxyphenyl)methyl]-3-morpholin-4-ylpropan-1-amine?
N-[(3-methoxy-4-prop-2-enoxyphenyl)methyl]-3-morpholin-4-ylpropan-1-amine has a molecular weight of 320.43 g/mol, XLogP of 2.07, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methoxy-4-prop-2-enoxyphenyl)methyl]-3-morpholin-4-ylpropan-1-amine is sourced from PubChem (CID 4715809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).