2-methyl-3-morpholin-4-yl-2-phenyl-N-propylpropan-1-amine

C17H28N2O — CID 62263166

IUPAC2-methyl-3-morpholin-4-yl-2-phenyl-N-propylpropan-1-amine
SMILESCCCNCC(C)(CN1CCOCC1)c1ccccc1
InChIInChI=1S/C17H28N2O/c1-3-9-18-14-17(2,16-7-5-4-6-8-16)15-19-10-12-20-13-11-19/h4-8,18H,3,9-15H2,1-2H3
InChIKeyFKVHCWLICPERJZ-UHFFFAOYSA-N
MW276.42 g/mol
LogP2.28
Rot. Bonds7

About 2-methyl-3-morpholin-4-yl-2-phenyl-N-propylpropan-1-amine

2-methyl-3-morpholin-4-yl-2-phenyl-N-propylpropan-1-amine (PubChem CID 62263166) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is 2-methyl-3-morpholin-4-yl-2-phenyl-N-propylpropan-1-amine.

Molecular Properties

Compound Name2-methyl-3-morpholin-4-yl-2-phenyl-N-propylpropan-1-amine
PubChem CID62263166
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC Name2-methyl-3-morpholin-4-yl-2-phenyl-N-propylpropan-1-amine
SMILESCCCNCC(C)(CN1CCOCC1)c1ccccc1
InChIInChI=1S/C17H28N2O/c1-3-9-18-14-17(2,16-7-5-4-6-8-16)15-19-10-12-20-13-11-19/h4-8,18H,3,9-15H2,1-2H3
InChIKeyFKVHCWLICPERJZ-UHFFFAOYSA-N
XLogP2.28
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 52.28
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

2-methyl-2-phenyl-N-propyl-3-thiomorpholin-4-ylpropan-1-amine
CID 62261570
3-(azocan-1-yl)-N-ethyl-2-methyl-2-phenylpropan-1-amine
CID 62262873
1-morpholin-4-yl-2-phenylpropan-2-amine
CID 62489522
N,2-dimethyl-2-phenyl-3-(4-propylpiperidin-1-yl)propan-1-amine
CID 62257926
2-methyl-2-phenyl-N-propan-2-yl-3-pyrrolidin-1-ylpropan-1-amine
CID 62262976
3-(4-ethylpiperazin-1-yl)-2-methyl-2-phenylpropan-1-amine
CID 55051607
1-amino-2-morpholin-4-yl-1-phenylethanol
CID 67546296
N-ethyl-3-(3-ethylpiperidin-1-yl)-2-methyl-2-phenylpropan-1-amine
CID 62258575
4-morpholin-4-yl-3,3-diphenylbutan-2-one
CID 23423770
N,N-dimethyl-1-[2-methyl-3-(methylamino)-2-phenylpropyl]piperidin-4-amine
CID 62257862
2-ethyl-2-phenyl-N-propylbutan-1-amine
CID 62596576
3-(4-methylpiperazin-1-yl)-2-morpholin-4-yl-2-phenylpropanal
CID 170182507

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-morpholin-4-yl-2-phenyl-N-propylpropan-1-amine?
The IUPAC name of 2-methyl-3-morpholin-4-yl-2-phenyl-N-propylpropan-1-amine (CID 62263166) is 2-methyl-3-morpholin-4-yl-2-phenyl-N-propylpropan-1-amine.
What is the SMILES notation for 2-methyl-3-morpholin-4-yl-2-phenyl-N-propylpropan-1-amine?
The canonical SMILES for 2-methyl-3-morpholin-4-yl-2-phenyl-N-propylpropan-1-amine is CCCNCC(C)(CN1CCOCC1)c1ccccc1.
What is the InChIKey of 2-methyl-3-morpholin-4-yl-2-phenyl-N-propylpropan-1-amine?
The InChIKey is FKVHCWLICPERJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O/c1-3-9-18-14-17(2,16-7-5-4-6-8-16)15-19-10-12-20-13-11-19/h4-8,18H,3,9-15H2,1-2H3.
What are the key properties of 2-methyl-3-morpholin-4-yl-2-phenyl-N-propylpropan-1-amine?
2-methyl-3-morpholin-4-yl-2-phenyl-N-propylpropan-1-amine has a molecular weight of 276.42 g/mol, XLogP of 2.28, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-morpholin-4-yl-2-phenyl-N-propylpropan-1-amine is sourced from PubChem (CID 62263166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).