N-benzyl-3-[(4-ethylmorpholin-2-yl)methoxy]propan-1-amine

C17H28N2O2 — CID 114783008

IUPACN-benzyl-3-[(4-ethylmorpholin-2-yl)methoxy]propan-1-amine
SMILESCCN1CCOC(COCCCNCc2ccccc2)C1
InChIInChI=1S/C17H28N2O2/c1-2-19-10-12-21-17(14-19)15-20-11-6-9-18-13-16-7-4-3-5-8-16/h3-5,7-8,17-18H,2,6,9-15H2,1H3
InChIKeyPCDCGQXTSGGCAQ-UHFFFAOYSA-N
MW292.42 g/mol
LogP1.90
Rot. Bonds9

About N-benzyl-3-[(4-ethylmorpholin-2-yl)methoxy]propan-1-amine

N-benzyl-3-[(4-ethylmorpholin-2-yl)methoxy]propan-1-amine (PubChem CID 114783008) has the molecular formula C17H28N2O2 and a molecular weight of 292.42 g/mol. Its IUPAC name is N-benzyl-3-[(4-ethylmorpholin-2-yl)methoxy]propan-1-amine.

Molecular Properties

Compound NameN-benzyl-3-[(4-ethylmorpholin-2-yl)methoxy]propan-1-amine
PubChem CID114783008
Molecular FormulaC17H28N2O2
Molecular Weight292.42 g/mol
Exact Mass292.22
IUPAC NameN-benzyl-3-[(4-ethylmorpholin-2-yl)methoxy]propan-1-amine
SMILESCCN1CCOC(COCCCNCc2ccccc2)C1
InChIInChI=1S/C17H28N2O2/c1-2-19-10-12-21-17(14-19)15-20-11-6-9-18-13-16-7-4-3-5-8-16/h3-5,7-8,17-18H,2,6,9-15H2,1H3
InChIKeyPCDCGQXTSGGCAQ-UHFFFAOYSA-N
XLogP1.90
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.42
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[[4-[(4-ethylmorpholin-2-yl)methoxy]phenyl]methyl]propan-1-amine
CID 79165728
N-[(4-ethylmorpholin-2-yl)methyl]-4-phenylbutan-1-amine
CID 114399789
3-(oxolan-2-ylmethoxy)-N-[(3-phenoxyphenyl)methyl]propan-1-amine
CID 75858662
N-methyl-3-[[(2R)-4-propylmorpholin-2-yl]methoxy]propan-1-amine
CID 169214682
N-[3-(oxolan-2-ylmethoxy)propyl]-3-phenylpropan-1-amine
CID 43182561
3-(oxolan-2-ylmethoxy)-N-(2-phenylethyl)propan-1-amine
CID 43182521
1-(4-ethylmorpholin-2-yl)-N-[[4-(methoxymethyl)phenyl]methyl]methanamine
CID 115653577
N-benzyl-3-(cyclohexylmethoxy)propan-1-amine
CID 114782937
4-[[(4-ethylmorpholin-2-yl)methylamino]methyl]benzoic acid
CID 114399651
N-[(1-benzylpyrazol-4-yl)methyl]-1-[(2S)-4-ethylmorpholin-2-yl]methanamine
CID 95758654
3-[[(4-ethylmorpholin-2-yl)methylamino]methyl]benzoic acid
CID 103267262
(2R)-2-[(2-bromophenoxy)methyl]-4-ethylmorpholine
CID 97154192

Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-[(4-ethylmorpholin-2-yl)methoxy]propan-1-amine?
The IUPAC name of N-benzyl-3-[(4-ethylmorpholin-2-yl)methoxy]propan-1-amine (CID 114783008) is N-benzyl-3-[(4-ethylmorpholin-2-yl)methoxy]propan-1-amine.
What is the SMILES notation for N-benzyl-3-[(4-ethylmorpholin-2-yl)methoxy]propan-1-amine?
The canonical SMILES for N-benzyl-3-[(4-ethylmorpholin-2-yl)methoxy]propan-1-amine is CCN1CCOC(COCCCNCc2ccccc2)C1.
What is the InChIKey of N-benzyl-3-[(4-ethylmorpholin-2-yl)methoxy]propan-1-amine?
The InChIKey is PCDCGQXTSGGCAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O2/c1-2-19-10-12-21-17(14-19)15-20-11-6-9-18-13-16-7-4-3-5-8-16/h3-5,7-8,17-18H,2,6,9-15H2,1H3.
What are the key properties of N-benzyl-3-[(4-ethylmorpholin-2-yl)methoxy]propan-1-amine?
N-benzyl-3-[(4-ethylmorpholin-2-yl)methoxy]propan-1-amine has a molecular weight of 292.42 g/mol, XLogP of 1.90, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3-[(4-ethylmorpholin-2-yl)methoxy]propan-1-amine is sourced from PubChem (CID 114783008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).