N-[4-(aminomethyl)phenyl]-N-propan-2-ylmorpholine-4-carboxamide

C15H23N3O2 — CID 79155841

IUPACN-[4-(aminomethyl)phenyl]-N-propan-2-ylmorpholine-4-carboxamide
SMILESCC(C)N(C(=O)N1CCOCC1)c1ccc(CN)cc1
InChIInChI=1S/C15H23N3O2/c1-12(2)18(14-5-3-13(11-16)4-6-14)15(19)17-7-9-20-10-8-17/h3-6,12H,7-11,16H2,1-2H3
InChIKeyQWNODZNRZMDQHO-UHFFFAOYSA-N
MW277.37 g/mol
LogP1.81
Rot. Bonds3

About N-[4-(aminomethyl)phenyl]-N-propan-2-ylmorpholine-4-carboxamide

N-[4-(aminomethyl)phenyl]-N-propan-2-ylmorpholine-4-carboxamide (PubChem CID 79155841) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is N-[4-(aminomethyl)phenyl]-N-propan-2-ylmorpholine-4-carboxamide.

Molecular Properties

Compound NameN-[4-(aminomethyl)phenyl]-N-propan-2-ylmorpholine-4-carboxamide
PubChem CID79155841
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC NameN-[4-(aminomethyl)phenyl]-N-propan-2-ylmorpholine-4-carboxamide
SMILESCC(C)N(C(=O)N1CCOCC1)c1ccc(CN)cc1
InChIInChI=1S/C15H23N3O2/c1-12(2)18(14-5-3-13(11-16)4-6-14)15(19)17-7-9-20-10-8-17/h3-6,12H,7-11,16H2,1-2H3
InChIKeyQWNODZNRZMDQHO-UHFFFAOYSA-N
XLogP1.81
TPSA58.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(aminomethyl)phenyl]-N-propan-2-ylacetamide
CID 43275962
N-[4-(aminomethyl)phenyl]-N-propan-2-yloxane-4-carboxamide
CID 62907547
2-[4-(aminomethyl)phenoxy]-1-morpholin-4-ylpropan-1-one
CID 43115804
N-[4-(aminomethyl)phenyl]-N-propan-2-yl-1,4-dioxane-2-carboxamide
CID 62797625
2-[4-(aminomethyl)-N-cyclopropylanilino]-1-morpholin-4-ylethanone
CID 43276249
N-[4-(aminomethyl)phenyl]-2-phenyl-N-propan-2-ylacetamide
CID 43275980
N-[4-(aminomethyl)phenyl]-2-[(2-methylpropan-2-yl)oxy]-N-propan-2-ylacetamide
CID 115949136
N-[4-(aminomethyl)phenyl]-5-methyl-N-propan-2-ylfuran-3-carboxamide
CID 114818480
N-(2-aminoethyl)-N-propan-2-ylmorpholine-4-carboxamide
CID 79155314
2-[3-(aminomethyl)phenyl]sulfanyl-1-morpholin-4-ylpropan-1-one
CID 66354946
N-(4-ethylphenyl)-N-(1-morpholin-4-yl-1-oxopropan-2-yl)methanesulfonamide
CID 50944900
N-[4-(aminomethyl)phenyl]-N-propylmorpholine-4-sulfonamide
CID 43275774

Frequently Asked Questions

What is the IUPAC name of N-[4-(aminomethyl)phenyl]-N-propan-2-ylmorpholine-4-carboxamide?
The IUPAC name of N-[4-(aminomethyl)phenyl]-N-propan-2-ylmorpholine-4-carboxamide (CID 79155841) is N-[4-(aminomethyl)phenyl]-N-propan-2-ylmorpholine-4-carboxamide.
What is the SMILES notation for N-[4-(aminomethyl)phenyl]-N-propan-2-ylmorpholine-4-carboxamide?
The canonical SMILES for N-[4-(aminomethyl)phenyl]-N-propan-2-ylmorpholine-4-carboxamide is CC(C)N(C(=O)N1CCOCC1)c1ccc(CN)cc1.
What is the InChIKey of N-[4-(aminomethyl)phenyl]-N-propan-2-ylmorpholine-4-carboxamide?
The InChIKey is QWNODZNRZMDQHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-12(2)18(14-5-3-13(11-16)4-6-14)15(19)17-7-9-20-10-8-17/h3-6,12H,7-11,16H2,1-2H3.
What are the key properties of N-[4-(aminomethyl)phenyl]-N-propan-2-ylmorpholine-4-carboxamide?
N-[4-(aminomethyl)phenyl]-N-propan-2-ylmorpholine-4-carboxamide has a molecular weight of 277.37 g/mol, XLogP of 1.81, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(aminomethyl)phenyl]-N-propan-2-ylmorpholine-4-carboxamide is sourced from PubChem (CID 79155841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).