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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Related Compounds

N-[[4-(3-chloro-2-pyridinyl)morpholin-3-yl]methyl]propan-1-amine
CID 83105942
N-[[5-chloro-6-(3-ethylmorpholin-4-yl)-3-pyridinyl]methyl]propan-1-amine
CID 62283822
N-[[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]morpholin-3-yl]methyl]ethanamine
CID 83106018
N-[[4-(5-bromo-4-methoxypyrimidin-2-yl)morpholin-3-yl]methyl]propan-1-amine
CID 106999679
N-[[4-(3-bromo-5-methyl-2-pyridinyl)morpholin-3-yl]methyl]ethanamine
CID 105368651
5-bromo-3-chloro-2-(2-ethylpyrrolidin-1-yl)pyridine
CID 103583016
1-propyl-3-[3-(propylaminomethyl)morpholin-4-yl]pyrazin-2-one
CID 83105741
N-[[4-(3-methylsulfonyl-2-pyridinyl)morpholin-3-yl]methyl]propan-1-amine
CID 114599597
N-[(4-methylmorpholin-3-yl)methyl]propan-1-amine
CID 83100500
4-(5-bromo-3-nitro-2-pyridinyl)-3-ethylmorpholine
CID 61375480
4-(5-bromo-3-chloro-2-pyridinyl)-5-ethyl-2-methylmorpholine
CID 103583164
N-[[4-[(2,6-dichlorophenyl)methyl]morpholin-3-yl]methyl]propan-1-amine
CID 83100086

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).