4-(4-methyl-2-morpholin-4-ylphenyl)butan-1-amine

C15H24N2O — CID 117115698

IUPAC4-(4-methyl-2-morpholin-4-ylphenyl)butan-1-amine
SMILESCc1ccc(CCCCN)c(N2CCOCC2)c1
InChIInChI=1S/C15H24N2O/c1-13-5-6-14(4-2-3-7-16)15(12-13)17-8-10-18-11-9-17/h5-6,12H,2-4,7-11,16H2,1H3
InChIKeyLRZSICYGDQFALY-UHFFFAOYSA-N
MW248.37 g/mol
LogP2.11
Rot. Bonds5

About 4-(4-methyl-2-morpholin-4-ylphenyl)butan-1-amine

4-(4-methyl-2-morpholin-4-ylphenyl)butan-1-amine (PubChem CID 117115698) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is 4-(4-methyl-2-morpholin-4-ylphenyl)butan-1-amine.

Molecular Properties

Compound Name4-(4-methyl-2-morpholin-4-ylphenyl)butan-1-amine
PubChem CID117115698
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC Name4-(4-methyl-2-morpholin-4-ylphenyl)butan-1-amine
SMILESCc1ccc(CCCCN)c(N2CCOCC2)c1
InChIInChI=1S/C15H24N2O/c1-13-5-6-14(4-2-3-7-16)15(12-13)17-8-10-18-11-9-17/h5-6,12H,2-4,7-11,16H2,1H3
InChIKeyLRZSICYGDQFALY-UHFFFAOYSA-N
XLogP2.11
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 52.11
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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Frequently Asked Questions

What is the IUPAC name of 4-(4-methyl-2-morpholin-4-ylphenyl)butan-1-amine?
The IUPAC name of 4-(4-methyl-2-morpholin-4-ylphenyl)butan-1-amine (CID 117115698) is 4-(4-methyl-2-morpholin-4-ylphenyl)butan-1-amine.
What is the SMILES notation for 4-(4-methyl-2-morpholin-4-ylphenyl)butan-1-amine?
The canonical SMILES for 4-(4-methyl-2-morpholin-4-ylphenyl)butan-1-amine is Cc1ccc(CCCCN)c(N2CCOCC2)c1.
What is the InChIKey of 4-(4-methyl-2-morpholin-4-ylphenyl)butan-1-amine?
The InChIKey is LRZSICYGDQFALY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-13-5-6-14(4-2-3-7-16)15(12-13)17-8-10-18-11-9-17/h5-6,12H,2-4,7-11,16H2,1H3.
What are the key properties of 4-(4-methyl-2-morpholin-4-ylphenyl)butan-1-amine?
4-(4-methyl-2-morpholin-4-ylphenyl)butan-1-amine has a molecular weight of 248.37 g/mol, XLogP of 2.11, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methyl-2-morpholin-4-ylphenyl)butan-1-amine is sourced from PubChem (CID 117115698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).