1-(3-bromo-4-morpholin-4-ylphenyl)cyclobutan-1-amine

C14H19BrN2O — CID 117496105

IUPAC1-(3-bromo-4-morpholin-4-ylphenyl)cyclobutan-1-amine
SMILESNC1(c2ccc(N3CCOCC3)c(Br)c2)CCC1
InChIInChI=1S/C14H19BrN2O/c15-12-10-11(14(16)4-1-5-14)2-3-13(12)17-6-8-18-9-7-17/h2-3,10H,1,4-9,16H2
InChIKeyZMTBEOPCQFFPQS-UHFFFAOYSA-N
MW311.22 g/mol
LogP2.62
Rot. Bonds2

About 1-(3-bromo-4-morpholin-4-ylphenyl)cyclobutan-1-amine

1-(3-bromo-4-morpholin-4-ylphenyl)cyclobutan-1-amine (PubChem CID 117496105) has the molecular formula C14H19BrN2O and a molecular weight of 311.22 g/mol. Its IUPAC name is 1-(3-bromo-4-morpholin-4-ylphenyl)cyclobutan-1-amine.

Molecular Properties

Compound Name1-(3-bromo-4-morpholin-4-ylphenyl)cyclobutan-1-amine
PubChem CID117496105
Molecular FormulaC14H19BrN2O
Molecular Weight311.22 g/mol
Exact Mass310.07
IUPAC Name1-(3-bromo-4-morpholin-4-ylphenyl)cyclobutan-1-amine
SMILESNC1(c2ccc(N3CCOCC3)c(Br)c2)CCC1
InChIInChI=1S/C14H19BrN2O/c15-12-10-11(14(16)4-1-5-14)2-3-13(12)17-6-8-18-9-7-17/h2-3,10H,1,4-9,16H2
InChIKeyZMTBEOPCQFFPQS-UHFFFAOYSA-N
XLogP2.62
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.22
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-4-morpholin-4-ylphenyl)cyclobutan-1-amine?
The IUPAC name of 1-(3-bromo-4-morpholin-4-ylphenyl)cyclobutan-1-amine (CID 117496105) is 1-(3-bromo-4-morpholin-4-ylphenyl)cyclobutan-1-amine.
What is the SMILES notation for 1-(3-bromo-4-morpholin-4-ylphenyl)cyclobutan-1-amine?
The canonical SMILES for 1-(3-bromo-4-morpholin-4-ylphenyl)cyclobutan-1-amine is NC1(c2ccc(N3CCOCC3)c(Br)c2)CCC1.
What is the InChIKey of 1-(3-bromo-4-morpholin-4-ylphenyl)cyclobutan-1-amine?
The InChIKey is ZMTBEOPCQFFPQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrN2O/c15-12-10-11(14(16)4-1-5-14)2-3-13(12)17-6-8-18-9-7-17/h2-3,10H,1,4-9,16H2.
What are the key properties of 1-(3-bromo-4-morpholin-4-ylphenyl)cyclobutan-1-amine?
1-(3-bromo-4-morpholin-4-ylphenyl)cyclobutan-1-amine has a molecular weight of 311.22 g/mol, XLogP of 2.62, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-4-morpholin-4-ylphenyl)cyclobutan-1-amine is sourced from PubChem (CID 117496105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).