2-methyl-N-(3-morpholin-4-ylpropyl)-1-phenylpropan-1-amine

C17H28N2O — CID 43769529

IUPAC2-methyl-N-(3-morpholin-4-ylpropyl)-1-phenylpropan-1-amine
SMILESCC(C)C(NCCCN1CCOCC1)c1ccccc1
InChIInChI=1S/C17H28N2O/c1-15(2)17(16-7-4-3-5-8-16)18-9-6-10-19-11-13-20-14-12-19/h3-5,7-8,15,17-18H,6,9-14H2,1-2H3
InChIKeyFDSDYYBNZSCDSU-UHFFFAOYSA-N
MW276.42 g/mol
LogP2.70
Rot. Bonds7

About 2-methyl-N-(3-morpholin-4-ylpropyl)-1-phenylpropan-1-amine

2-methyl-N-(3-morpholin-4-ylpropyl)-1-phenylpropan-1-amine (PubChem CID 43769529) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is 2-methyl-N-(3-morpholin-4-ylpropyl)-1-phenylpropan-1-amine.

Molecular Properties

Compound Name2-methyl-N-(3-morpholin-4-ylpropyl)-1-phenylpropan-1-amine
PubChem CID43769529
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC Name2-methyl-N-(3-morpholin-4-ylpropyl)-1-phenylpropan-1-amine
SMILESCC(C)C(NCCCN1CCOCC1)c1ccccc1
InChIInChI=1S/C17H28N2O/c1-15(2)17(16-7-4-3-5-8-16)18-9-6-10-19-11-13-20-14-12-19/h3-5,7-8,15,17-18H,6,9-14H2,1-2H3
InChIKeyFDSDYYBNZSCDSU-UHFFFAOYSA-N
XLogP2.70
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 ≤ 52.70
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

3-methyl-N-(3-morpholin-4-ylpropyl)-1-phenylbutan-1-amine
CID 43204989
N-(2-methyl-1-phenylpropyl)morpholin-4-amine
CID 83011282
2-(3-morpholin-4-ylpropylamino)-1-phenylpropan-1-one
CID 82100038
3-morpholin-4-yl-N-[1-(4-propan-2-ylphenyl)ethyl]propan-1-amine
CID 43205019
N-[1-(4-bromophenyl)ethyl]-3-morpholin-4-ylpropan-1-amine
CID 43204957
(2R)-N-(2-morpholin-4-ylethyl)-2-phenylpropan-1-amine
CID 28617584
N-[1-(2,6-difluorophenyl)ethyl]-3-morpholin-4-ylpropan-1-amine
CID 43204967
N-[1-(5-methylfuran-2-yl)ethyl]-3-morpholin-4-ylpropan-1-amine
CID 43204980
N-(2-morpholin-4-ylethyl)-1-phenyl-2-piperidin-1-ylethanamine
CID 51000971
N-[furan-2-yl(phenyl)methyl]-2-morpholin-4-ylethanamine
CID 43178931
2-methyl-N-(3-pyrrolidin-1-ylpropyl)-1-thiophen-2-ylpropan-1-amine
CID 43768332
4-[3-[2-[(1R)-1-phenylethyl]imidazol-1-yl]propyl]morpholine
CID 95200278

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(3-morpholin-4-ylpropyl)-1-phenylpropan-1-amine?
The IUPAC name of 2-methyl-N-(3-morpholin-4-ylpropyl)-1-phenylpropan-1-amine (CID 43769529) is 2-methyl-N-(3-morpholin-4-ylpropyl)-1-phenylpropan-1-amine.
What is the SMILES notation for 2-methyl-N-(3-morpholin-4-ylpropyl)-1-phenylpropan-1-amine?
The canonical SMILES for 2-methyl-N-(3-morpholin-4-ylpropyl)-1-phenylpropan-1-amine is CC(C)C(NCCCN1CCOCC1)c1ccccc1.
What is the InChIKey of 2-methyl-N-(3-morpholin-4-ylpropyl)-1-phenylpropan-1-amine?
The InChIKey is FDSDYYBNZSCDSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O/c1-15(2)17(16-7-4-3-5-8-16)18-9-6-10-19-11-13-20-14-12-19/h3-5,7-8,15,17-18H,6,9-14H2,1-2H3.
What are the key properties of 2-methyl-N-(3-morpholin-4-ylpropyl)-1-phenylpropan-1-amine?
2-methyl-N-(3-morpholin-4-ylpropyl)-1-phenylpropan-1-amine has a molecular weight of 276.42 g/mol, XLogP of 2.70, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(3-morpholin-4-ylpropyl)-1-phenylpropan-1-amine is sourced from PubChem (CID 43769529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).