N-[(2-methoxyphenyl)methyl]-3-morpholin-4-ylpropan-1-amine;oxalic acid

C17H26N2O6 — CID 17053127

IUPACN-[(2-methoxyphenyl)methyl]-3-morpholin-4-ylpropan-1-amine;oxalic acid
SMILESCOc1ccccc1CNCCCN1CCOCC1.O=C(O)C(=O)O
InChIInChI=1S/C15H24N2O2.C2H2O4/c1-18-15-6-3-2-5-14(15)13-16-7-4-8-17-9-11-19-12-10-17;3-1(4)2(5)6/h2-3,5-6,16H,4,7-13H2,1H3;(H,3,4)(H,5,6)
InChIKeyYSJQEOMXLZELME-UHFFFAOYSA-N
MW354.40 g/mol
LogP0.66
Rot. Bonds7

About N-[(2-methoxyphenyl)methyl]-3-morpholin-4-ylpropan-1-amine;oxalic acid

N-[(2-methoxyphenyl)methyl]-3-morpholin-4-ylpropan-1-amine;oxalic acid (PubChem CID 17053127) has the molecular formula C17H26N2O6 and a molecular weight of 354.40 g/mol. Its IUPAC name is N-[(2-methoxyphenyl)methyl]-3-morpholin-4-ylpropan-1-amine;oxalic acid.

Molecular Properties

Compound NameN-[(2-methoxyphenyl)methyl]-3-morpholin-4-ylpropan-1-amine;oxalic acid
PubChem CID17053127
Molecular FormulaC17H26N2O6
Molecular Weight354.40 g/mol
Exact Mass354.18
IUPAC NameN-[(2-methoxyphenyl)methyl]-3-morpholin-4-ylpropan-1-amine;oxalic acid
SMILESCOc1ccccc1CNCCCN1CCOCC1.O=C(O)C(=O)O
InChIInChI=1S/C15H24N2O2.C2H2O4/c1-18-15-6-3-2-5-14(15)13-16-7-4-8-17-9-11-19-12-10-17;3-1(4)2(5)6/h2-3,5-6,16H,4,7-13H2,1H3;(H,3,4)(H,5,6)
InChIKeyYSJQEOMXLZELME-UHFFFAOYSA-N
XLogP0.66
TPSA108.33 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.40
LogP ≤ 50.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N'-[(2-methoxyphenyl)methyl]-N-(3-morpholin-4-ylpropyl)oxamide
CID 44902502
2-[2-methoxy-6-[(3-morpholin-4-ylpropylamino)methyl]phenoxy]acetamide
CID 17053298
N-[(2-methoxyphenyl)methyl]-2-(2-morpholin-4-ylethylamino)acetamide
CID 108994758
3-morpholin-4-yl-N-[(2-prop-2-enoxyphenyl)methyl]propan-1-amine
CID 2214046
N-[(5-chloro-2-methoxyphenyl)methyl]-3-morpholin-4-ylpropan-1-amine;dihydrochloride
CID 6457097
N-[(2-methylphenyl)methyl]-3-morpholin-4-ylpropan-1-amine;dihydrochloride
CID 6456981
3-morpholin-4-yl-N-[(2,3,4-trimethoxyphenyl)methyl]propan-1-amine;dihydrochloride
CID 6457021
N-[(2-fluoro-3-methoxyphenyl)methyl]-2-morpholin-4-ylethanamine
CID 104791505
1-[2-(2-methoxyphenyl)ethyl]-3-(2-morpholin-4-ylethyl)urea
CID 110408119
N-[(3-methylphenyl)methyl]-3-morpholin-4-ylpropan-1-amine;oxalic acid
CID 17053091
N-[[2-[(4-fluorophenyl)methoxy]phenyl]methyl]-3-morpholin-4-ylpropan-1-amine;dihydrochloride
CID 17289404
N-[[2-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methyl]-3-morpholin-4-ylpropan-1-amine
CID 4722023

Frequently Asked Questions

What is the IUPAC name of N-[(2-methoxyphenyl)methyl]-3-morpholin-4-ylpropan-1-amine;oxalic acid?
The IUPAC name of N-[(2-methoxyphenyl)methyl]-3-morpholin-4-ylpropan-1-amine;oxalic acid (CID 17053127) is N-[(2-methoxyphenyl)methyl]-3-morpholin-4-ylpropan-1-amine;oxalic acid.
What is the SMILES notation for N-[(2-methoxyphenyl)methyl]-3-morpholin-4-ylpropan-1-amine;oxalic acid?
The canonical SMILES for N-[(2-methoxyphenyl)methyl]-3-morpholin-4-ylpropan-1-amine;oxalic acid is COc1ccccc1CNCCCN1CCOCC1.O=C(O)C(=O)O.
What is the InChIKey of N-[(2-methoxyphenyl)methyl]-3-morpholin-4-ylpropan-1-amine;oxalic acid?
The InChIKey is YSJQEOMXLZELME-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2.C2H2O4/c1-18-15-6-3-2-5-14(15)13-16-7-4-8-17-9-11-19-12-10-17;3-1(4)2(5)6/h2-3,5-6,16H,4,7-13H2,1H3;(H,3,4)(H,5,6).
What are the key properties of N-[(2-methoxyphenyl)methyl]-3-morpholin-4-ylpropan-1-amine;oxalic acid?
N-[(2-methoxyphenyl)methyl]-3-morpholin-4-ylpropan-1-amine;oxalic acid has a molecular weight of 354.40 g/mol, XLogP of 0.66, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methoxyphenyl)methyl]-3-morpholin-4-ylpropan-1-amine;oxalic acid is sourced from PubChem (CID 17053127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).