N-[[4-(5-bromo-3-chloro-2-pyridinyl)morpholin-3-yl]methyl]propan-1-amine

C13H19BrClN3O — CID 103584045

IUPACN-[[4-(5-bromo-3-chloro-2-pyridinyl)morpholin-3-yl]methyl]propan-1-amine
SMILESCCCNCC1COCCN1c1ncc(Br)cc1Cl
InChIInChI=1S/C13H19BrClN3O/c1-2-3-16-8-11-9-19-5-4-18(11)13-12(15)6-10(14)7-17-13/h6-7,11,16H,2-5,8-9H2,1H3
InChIKeyNXKBJXVFXRUARE-UHFFFAOYSA-N
MW348.67 g/mol
LogP2.70
Rot. Bonds5

About N-[[4-(5-bromo-3-chloro-2-pyridinyl)morpholin-3-yl]methyl]propan-1-amine

N-[[4-(5-bromo-3-chloro-2-pyridinyl)morpholin-3-yl]methyl]propan-1-amine (PubChem CID 103584045) has the molecular formula C13H19BrClN3O and a molecular weight of 348.67 g/mol. Its IUPAC name is N-[[4-(5-bromo-3-chloro-2-pyridinyl)morpholin-3-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[4-(5-bromo-3-chloro-2-pyridinyl)morpholin-3-yl]methyl]propan-1-amine
PubChem CID103584045
Molecular FormulaC13H19BrClN3O
Molecular Weight348.67 g/mol
Exact Mass347.04
IUPAC NameN-[[4-(5-bromo-3-chloro-2-pyridinyl)morpholin-3-yl]methyl]propan-1-amine
SMILESCCCNCC1COCCN1c1ncc(Br)cc1Cl
InChIInChI=1S/C13H19BrClN3O/c1-2-3-16-8-11-9-19-5-4-18(11)13-12(15)6-10(14)7-17-13/h6-7,11,16H,2-5,8-9H2,1H3
InChIKeyNXKBJXVFXRUARE-UHFFFAOYSA-N
XLogP2.70
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.67
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 N-[[4-(5-bromo-3-chloro-2-pyridinyl)morpholin-3-yl]methyl]propan-1-amine?
The IUPAC name of N-[[4-(5-bromo-3-chloro-2-pyridinyl)morpholin-3-yl]methyl]propan-1-amine (CID 103584045) is N-[[4-(5-bromo-3-chloro-2-pyridinyl)morpholin-3-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[[4-(5-bromo-3-chloro-2-pyridinyl)morpholin-3-yl]methyl]propan-1-amine?
The canonical SMILES for N-[[4-(5-bromo-3-chloro-2-pyridinyl)morpholin-3-yl]methyl]propan-1-amine is CCCNCC1COCCN1c1ncc(Br)cc1Cl.
What is the InChIKey of N-[[4-(5-bromo-3-chloro-2-pyridinyl)morpholin-3-yl]methyl]propan-1-amine?
The InChIKey is NXKBJXVFXRUARE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrClN3O/c1-2-3-16-8-11-9-19-5-4-18(11)13-12(15)6-10(14)7-17-13/h6-7,11,16H,2-5,8-9H2,1H3.
What are the key properties of N-[[4-(5-bromo-3-chloro-2-pyridinyl)morpholin-3-yl]methyl]propan-1-amine?
N-[[4-(5-bromo-3-chloro-2-pyridinyl)morpholin-3-yl]methyl]propan-1-amine has a molecular weight of 348.67 g/mol, XLogP of 2.70, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(5-bromo-3-chloro-2-pyridinyl)morpholin-3-yl]methyl]propan-1-amine is sourced from PubChem (CID 103584045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).