4-methyl-N-[(4-morpholin-4-ylphenyl)methyl]oxan-4-amine

C17H26N2O2 — CID 115758040

IUPAC4-methyl-N-[(4-morpholin-4-ylphenyl)methyl]oxan-4-amine
SMILESCC1(NCc2ccc(N3CCOCC3)cc2)CCOCC1
InChIInChI=1S/C17H26N2O2/c1-17(6-10-20-11-7-17)18-14-15-2-4-16(5-3-15)19-8-12-21-13-9-19/h2-5,18H,6-14H2,1H3
InChIKeyWKZMKEMMKPRRQP-UHFFFAOYSA-N
MW290.41 g/mol
LogP2.18
Rot. Bonds4

About 4-methyl-N-[(4-morpholin-4-ylphenyl)methyl]oxan-4-amine

4-methyl-N-[(4-morpholin-4-ylphenyl)methyl]oxan-4-amine (PubChem CID 115758040) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is 4-methyl-N-[(4-morpholin-4-ylphenyl)methyl]oxan-4-amine.

Molecular Properties

Compound Name4-methyl-N-[(4-morpholin-4-ylphenyl)methyl]oxan-4-amine
PubChem CID115758040
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name4-methyl-N-[(4-morpholin-4-ylphenyl)methyl]oxan-4-amine
SMILESCC1(NCc2ccc(N3CCOCC3)cc2)CCOCC1
InChIInChI=1S/C17H26N2O2/c1-17(6-10-20-11-7-17)18-14-15-2-4-16(5-3-15)19-8-12-21-13-9-19/h2-5,18H,6-14H2,1H3
InChIKeyWKZMKEMMKPRRQP-UHFFFAOYSA-N
XLogP2.18
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

1-methyl-N-[(4-morpholin-4-ylphenyl)methyl]cyclobutan-1-amine
CID 115765831
N-[[4-(dimethylamino)phenyl]methyl]-4-methyloxan-4-amine
CID 113321797
4-methyl-N-[(4-phenylphenyl)methyl]oxan-4-amine
CID 115758046
N-[(4-morpholin-4-ylphenyl)methyl]but-2-yn-1-amine
CID 113342036
(2R)-2-[(4-morpholin-4-ylphenyl)methylamino]propan-1-ol
CID 93082442
4-(4-ethylphenyl)morpholine
CID 20576442
N',3,3-trimethyl-N-[(4-morpholin-4-ylphenyl)methyl]pyrrolidine-1-carboximidamide
CID 111739118
1-cyclopropyl-N-[(4-morpholin-4-ylphenyl)methyl]propan-2-amine
CID 63988276
4-methyl-N-[(4-pentoxyphenyl)methyl]oxan-4-amine
CID 115758007
N-[(4-morpholin-4-ylphenyl)methyl]-4-phenyloxane-4-carboxamide
CID 56922873
N-methyl-2-(4-morpholin-4-ylphenyl)ethanamine
CID 82616430
(4-morpholin-4-ylphenyl)methylurea
CID 142276122

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[(4-morpholin-4-ylphenyl)methyl]oxan-4-amine?
The IUPAC name of 4-methyl-N-[(4-morpholin-4-ylphenyl)methyl]oxan-4-amine (CID 115758040) is 4-methyl-N-[(4-morpholin-4-ylphenyl)methyl]oxan-4-amine.
What is the SMILES notation for 4-methyl-N-[(4-morpholin-4-ylphenyl)methyl]oxan-4-amine?
The canonical SMILES for 4-methyl-N-[(4-morpholin-4-ylphenyl)methyl]oxan-4-amine is CC1(NCc2ccc(N3CCOCC3)cc2)CCOCC1.
What is the InChIKey of 4-methyl-N-[(4-morpholin-4-ylphenyl)methyl]oxan-4-amine?
The InChIKey is WKZMKEMMKPRRQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-17(6-10-20-11-7-17)18-14-15-2-4-16(5-3-15)19-8-12-21-13-9-19/h2-5,18H,6-14H2,1H3.
What are the key properties of 4-methyl-N-[(4-morpholin-4-ylphenyl)methyl]oxan-4-amine?
4-methyl-N-[(4-morpholin-4-ylphenyl)methyl]oxan-4-amine has a molecular weight of 290.41 g/mol, XLogP of 2.18, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[(4-morpholin-4-ylphenyl)methyl]oxan-4-amine is sourced from PubChem (CID 115758040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).