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

C17H26N2O5 — CID 17053091

IUPACN-[(3-methylphenyl)methyl]-3-morpholin-4-ylpropan-1-amine;oxalic acid
SMILESCc1cccc(CNCCCN2CCOCC2)c1.O=C(O)C(=O)O
InChIInChI=1S/C15H24N2O.C2H2O4/c1-14-4-2-5-15(12-14)13-16-6-3-7-17-8-10-18-11-9-17;3-1(4)2(5)6/h2,4-5,12,16H,3,6-11,13H2,1H3;(H,3,4)(H,5,6)
InChIKeyPCZWHQRIRPVXFC-UHFFFAOYSA-N
MW338.40 g/mol
LogP0.96
Rot. Bonds6

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

N-[(3-methylphenyl)methyl]-3-morpholin-4-ylpropan-1-amine;oxalic acid (PubChem CID 17053091) has the molecular formula C17H26N2O5 and a molecular weight of 338.40 g/mol. Its IUPAC name is N-[(3-methylphenyl)methyl]-3-morpholin-4-ylpropan-1-amine;oxalic acid.

Molecular Properties

Compound NameN-[(3-methylphenyl)methyl]-3-morpholin-4-ylpropan-1-amine;oxalic acid
PubChem CID17053091
Molecular FormulaC17H26N2O5
Molecular Weight338.40 g/mol
Exact Mass338.18
IUPAC NameN-[(3-methylphenyl)methyl]-3-morpholin-4-ylpropan-1-amine;oxalic acid
SMILESCc1cccc(CNCCCN2CCOCC2)c1.O=C(O)C(=O)O
InChIInChI=1S/C15H24N2O.C2H2O4/c1-14-4-2-5-15(12-14)13-16-6-3-7-17-8-10-18-11-9-17;3-1(4)2(5)6/h2,4-5,12,16H,3,6-11,13H2,1H3;(H,3,4)(H,5,6)
InChIKeyPCZWHQRIRPVXFC-UHFFFAOYSA-N
XLogP0.96
TPSA99.10 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.40
LogP ≤ 50.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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-[(3-methylphenyl)methyl]-2-(2-morpholin-4-ylethylamino)acetamide
CID 108994751
N-[(3-chlorophenyl)methyl]-3-morpholin-4-ylpropan-1-amine
CID 2991571
N-[(3-fluorophenyl)methyl]-3-morpholin-4-ylpropan-1-amine
CID 3152143
N-[(3-methylphenyl)methyl]-3-(2-morpholin-4-ylethylamino)propanamide
CID 109016697
3-morpholin-4-yl-N-[[4-[(3-morpholin-4-ylpropylamino)methyl]phenyl]methyl]propan-1-amine
CID 24899046
4-methyl-N-[3-[(2-morpholin-4-ylethylamino)methyl]phenyl]benzamide
CID 31136249
N-[(2-methoxyphenyl)methyl]-3-morpholin-4-ylpropan-1-amine;oxalic acid
CID 17053127
3-benzyl-1-[(3-methylphenyl)methyl]-1-(2-morpholin-4-ylethyl)urea
CID 110670133
2-[(3-methylphenyl)methylsulfonylamino]-N-(2-morpholin-4-ylethyl)acetamide
CID 110285240
N-[(3,4-difluorophenyl)methyl]-3-morpholin-4-ylpropan-1-amine
CID 28672164
N-[[3-methoxy-4-[(3-methylphenyl)methoxy]phenyl]methyl]-2-morpholin-4-ylethanamine
CID 4719784
N,N-bis(2-methoxyethyl)-3-[(3-morpholin-4-ylpropylamino)methyl]benzenesulfonamide
CID 59826455

Frequently Asked Questions

What is the IUPAC name of N-[(3-methylphenyl)methyl]-3-morpholin-4-ylpropan-1-amine;oxalic acid?
The IUPAC name of N-[(3-methylphenyl)methyl]-3-morpholin-4-ylpropan-1-amine;oxalic acid (CID 17053091) is N-[(3-methylphenyl)methyl]-3-morpholin-4-ylpropan-1-amine;oxalic acid.
What is the SMILES notation for N-[(3-methylphenyl)methyl]-3-morpholin-4-ylpropan-1-amine;oxalic acid?
The canonical SMILES for N-[(3-methylphenyl)methyl]-3-morpholin-4-ylpropan-1-amine;oxalic acid is Cc1cccc(CNCCCN2CCOCC2)c1.O=C(O)C(=O)O.
What is the InChIKey of N-[(3-methylphenyl)methyl]-3-morpholin-4-ylpropan-1-amine;oxalic acid?
The InChIKey is PCZWHQRIRPVXFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O.C2H2O4/c1-14-4-2-5-15(12-14)13-16-6-3-7-17-8-10-18-11-9-17;3-1(4)2(5)6/h2,4-5,12,16H,3,6-11,13H2,1H3;(H,3,4)(H,5,6).
What are the key properties of N-[(3-methylphenyl)methyl]-3-morpholin-4-ylpropan-1-amine;oxalic acid?
N-[(3-methylphenyl)methyl]-3-morpholin-4-ylpropan-1-amine;oxalic acid has a molecular weight of 338.40 g/mol, XLogP of 0.96, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methylphenyl)methyl]-3-morpholin-4-ylpropan-1-amine;oxalic acid is sourced from PubChem (CID 17053091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).