(3R)-1-[(4-bromo-2-morpholin-4-ylphenyl)methyl]pyrrolidin-3-amine

C15H22BrN3O — CID 120833970

IUPAC(3R)-1-[(4-bromo-2-morpholin-4-ylphenyl)methyl]pyrrolidin-3-amine
SMILESN[C@@H]1CCN(Cc2ccc(Br)cc2N2CCOCC2)C1
InChIInChI=1S/C15H22BrN3O/c16-13-2-1-12(10-18-4-3-14(17)11-18)15(9-13)19-5-7-20-8-6-19/h1-2,9,14H,3-8,10-11,17H2/t14-/m1/s1
InChIKeyXZBRRMHENMPWON-CQSZACIVSA-N
MW340.27 g/mol
LogP1.82
Rot. Bonds3

About (3R)-1-[(4-bromo-2-morpholin-4-ylphenyl)methyl]pyrrolidin-3-amine

(3R)-1-[(4-bromo-2-morpholin-4-ylphenyl)methyl]pyrrolidin-3-amine (PubChem CID 120833970) has the molecular formula C15H22BrN3O and a molecular weight of 340.27 g/mol. Its IUPAC name is (3R)-1-[(4-bromo-2-morpholin-4-ylphenyl)methyl]pyrrolidin-3-amine.

Molecular Properties

Compound Name(3R)-1-[(4-bromo-2-morpholin-4-ylphenyl)methyl]pyrrolidin-3-amine
PubChem CID120833970
Molecular FormulaC15H22BrN3O
Molecular Weight340.27 g/mol
Exact Mass339.09
IUPAC Name(3R)-1-[(4-bromo-2-morpholin-4-ylphenyl)methyl]pyrrolidin-3-amine
SMILESN[C@@H]1CCN(Cc2ccc(Br)cc2N2CCOCC2)C1
InChIInChI=1S/C15H22BrN3O/c16-13-2-1-12(10-18-4-3-14(17)11-18)15(9-13)19-5-7-20-8-6-19/h1-2,9,14H,3-8,10-11,17H2/t14-/m1/s1
InChIKeyXZBRRMHENMPWON-CQSZACIVSA-N
XLogP1.82
TPSA41.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.27
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3R)-1-[(4-bromo-2-morpholin-4-ylphenyl)methyl]pyrrolidin-3-amine?
The IUPAC name of (3R)-1-[(4-bromo-2-morpholin-4-ylphenyl)methyl]pyrrolidin-3-amine (CID 120833970) is (3R)-1-[(4-bromo-2-morpholin-4-ylphenyl)methyl]pyrrolidin-3-amine.
What is the SMILES notation for (3R)-1-[(4-bromo-2-morpholin-4-ylphenyl)methyl]pyrrolidin-3-amine?
The canonical SMILES for (3R)-1-[(4-bromo-2-morpholin-4-ylphenyl)methyl]pyrrolidin-3-amine is N[C@@H]1CCN(Cc2ccc(Br)cc2N2CCOCC2)C1.
What is the InChIKey of (3R)-1-[(4-bromo-2-morpholin-4-ylphenyl)methyl]pyrrolidin-3-amine?
The InChIKey is XZBRRMHENMPWON-CQSZACIVSA-N. The full InChI is InChI=1S/C15H22BrN3O/c16-13-2-1-12(10-18-4-3-14(17)11-18)15(9-13)19-5-7-20-8-6-19/h1-2,9,14H,3-8,10-11,17H2/t14-/m1/s1.
What are the key properties of (3R)-1-[(4-bromo-2-morpholin-4-ylphenyl)methyl]pyrrolidin-3-amine?
(3R)-1-[(4-bromo-2-morpholin-4-ylphenyl)methyl]pyrrolidin-3-amine has a molecular weight of 340.27 g/mol, XLogP of 1.82, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[(4-bromo-2-morpholin-4-ylphenyl)methyl]pyrrolidin-3-amine is sourced from PubChem (CID 120833970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).