N-[(4-ethylmorpholin-2-yl)methyl]-4-phenylbutan-1-amine

C17H28N2O — CID 114399789

IUPACN-[(4-ethylmorpholin-2-yl)methyl]-4-phenylbutan-1-amine
SMILESCCN1CCOC(CNCCCCc2ccccc2)C1
InChIInChI=1S/C17H28N2O/c1-2-19-12-13-20-17(15-19)14-18-11-7-6-10-16-8-4-3-5-9-16/h3-5,8-9,17-18H,2,6-7,10-15H2,1H3
InChIKeyOFIYMGXFARBJHI-UHFFFAOYSA-N
MW276.42 g/mol
LogP2.32
Rot. Bonds8

About N-[(4-ethylmorpholin-2-yl)methyl]-4-phenylbutan-1-amine

N-[(4-ethylmorpholin-2-yl)methyl]-4-phenylbutan-1-amine (PubChem CID 114399789) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is N-[(4-ethylmorpholin-2-yl)methyl]-4-phenylbutan-1-amine.

Molecular Properties

Compound NameN-[(4-ethylmorpholin-2-yl)methyl]-4-phenylbutan-1-amine
PubChem CID114399789
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC NameN-[(4-ethylmorpholin-2-yl)methyl]-4-phenylbutan-1-amine
SMILESCCN1CCOC(CNCCCCc2ccccc2)C1
InChIInChI=1S/C17H28N2O/c1-2-19-12-13-20-17(15-19)14-18-11-7-6-10-16-8-4-3-5-9-16/h3-5,8-9,17-18H,2,6-7,10-15H2,1H3
InChIKeyOFIYMGXFARBJHI-UHFFFAOYSA-N
XLogP2.32
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(4-methylmorpholin-2-yl)methyl]-3-phenylpropan-1-amine
CID 78945255
N-[(4-ethylmorpholin-2-yl)methyl]-6-iodohexan-1-amine
CID 107845055
3-bromo-N-[(4-ethylmorpholin-2-yl)methyl]propan-1-amine
CID 114293488
N-benzyl-3-[(4-ethylmorpholin-2-yl)methoxy]propan-1-amine
CID 114783008
3-[[(4-ethylmorpholin-2-yl)methylamino]methyl]benzoic acid
CID 103267262
N-[(4-ethylmorpholin-2-yl)methyl]-3-pyrrolidin-1-ylpropan-1-amine
CID 79165338
N-[(4-ethylmorpholin-2-yl)methyl]-3-methyl-2-phenylbutan-1-amine
CID 107876440
N-[(1-benzylpyrazol-4-yl)methyl]-1-[(2S)-4-ethylmorpholin-2-yl]methanamine
CID 95758654
2-ethyl-4-(2-phenylethyl)morpholine
CID 59586000
N-[(4-ethylmorpholin-2-yl)methyl]-4-propylaniline
CID 79166530
(1S)-N-[(4-ethylmorpholin-2-yl)methyl]-1-phenylethanamine
CID 79165339
N-[(4-ethylmorpholin-2-yl)methyl]-3,3,3-trifluoropropan-1-amine
CID 79165763

Frequently Asked Questions

What is the IUPAC name of N-[(4-ethylmorpholin-2-yl)methyl]-4-phenylbutan-1-amine?
The IUPAC name of N-[(4-ethylmorpholin-2-yl)methyl]-4-phenylbutan-1-amine (CID 114399789) is N-[(4-ethylmorpholin-2-yl)methyl]-4-phenylbutan-1-amine.
What is the SMILES notation for N-[(4-ethylmorpholin-2-yl)methyl]-4-phenylbutan-1-amine?
The canonical SMILES for N-[(4-ethylmorpholin-2-yl)methyl]-4-phenylbutan-1-amine is CCN1CCOC(CNCCCCc2ccccc2)C1.
What is the InChIKey of N-[(4-ethylmorpholin-2-yl)methyl]-4-phenylbutan-1-amine?
The InChIKey is OFIYMGXFARBJHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O/c1-2-19-12-13-20-17(15-19)14-18-11-7-6-10-16-8-4-3-5-9-16/h3-5,8-9,17-18H,2,6-7,10-15H2,1H3.
What are the key properties of N-[(4-ethylmorpholin-2-yl)methyl]-4-phenylbutan-1-amine?
N-[(4-ethylmorpholin-2-yl)methyl]-4-phenylbutan-1-amine has a molecular weight of 276.42 g/mol, XLogP of 2.32, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethylmorpholin-2-yl)methyl]-4-phenylbutan-1-amine is sourced from PubChem (CID 114399789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).