N-[[5-bromo-2-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]propan-2-amine

C15H24BrN3O — CID 62284579

IUPACN-[[5-bromo-2-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]propan-2-amine
SMILESCC(C)NCc1cc(Br)cnc1N1CC(C)OC(C)C1
InChIInChI=1S/C15H24BrN3O/c1-10(2)17-6-13-5-14(16)7-18-15(13)19-8-11(3)20-12(4)9-19/h5,7,10-12,17H,6,8-9H2,1-4H3
InChIKeyPMQCHVCQODTYDP-UHFFFAOYSA-N
MW342.28 g/mol
LogP2.96
Rot. Bonds4

About N-[[5-bromo-2-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]propan-2-amine

N-[[5-bromo-2-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]propan-2-amine (PubChem CID 62284579) has the molecular formula C15H24BrN3O and a molecular weight of 342.28 g/mol. Its IUPAC name is N-[[5-bromo-2-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[5-bromo-2-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]propan-2-amine
PubChem CID62284579
Molecular FormulaC15H24BrN3O
Molecular Weight342.28 g/mol
Exact Mass341.11
IUPAC NameN-[[5-bromo-2-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]propan-2-amine
SMILESCC(C)NCc1cc(Br)cnc1N1CC(C)OC(C)C1
InChIInChI=1S/C15H24BrN3O/c1-10(2)17-6-13-5-14(16)7-18-15(13)19-8-11(3)20-12(4)9-19/h5,7,10-12,17H,6,8-9H2,1-4H3
InChIKeyPMQCHVCQODTYDP-UHFFFAOYSA-N
XLogP2.96
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.28
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(5-bromo-2-pyrrolidin-1-yl-3-pyridinyl)methyl]propan-2-amine
CID 62285747
[5-bromo-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-pyridinyl]methanamine
CID 104960830
N-[[5-chloro-2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-4-pyridinyl]methyl]propan-2-amine
CID 104984142
N-[[5-bromo-2-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-3-pyridinyl]methyl]propan-2-amine
CID 114412801
N-[[5-bromo-2-(2,2,6-trimethylmorpholin-4-yl)-3-pyridinyl]methyl]cyclopropanamine
CID 62292890
4-(5-bromo-3-chloro-2-pyridinyl)-2-(chloromethyl)-6-methylmorpholine
CID 103584209
N-[(5-bromo-2-piperidin-1-yl-3-pyridinyl)methyl]-2-methylpropan-1-amine
CID 62281374
N-[[5-bromo-2-(2,3-dihydroindol-1-yl)-3-pyridinyl]methyl]propan-2-amine
CID 62280668
N-[[2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-5-bromo-3-pyridinyl]methyl]propan-1-amine
CID 115562108
[4-(5-bromo-3-chloro-2-pyridinyl)-6-methylmorpholin-2-yl]methanamine
CID 103584271
4-(5-bromo-3-chloro-2-pyridinyl)-2-(bromomethyl)-6-methylmorpholine
CID 103584210
N-[[5-bromo-2-(3,4-dimethoxypyrrolidin-1-yl)-3-pyridinyl]methyl]cyclopropanamine
CID 103539574

Frequently Asked Questions

What is the IUPAC name of N-[[5-bromo-2-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]propan-2-amine?
The IUPAC name of N-[[5-bromo-2-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]propan-2-amine (CID 62284579) is N-[[5-bromo-2-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[5-bromo-2-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]propan-2-amine?
The canonical SMILES for N-[[5-bromo-2-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]propan-2-amine is CC(C)NCc1cc(Br)cnc1N1CC(C)OC(C)C1.
What is the InChIKey of N-[[5-bromo-2-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]propan-2-amine?
The InChIKey is PMQCHVCQODTYDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24BrN3O/c1-10(2)17-6-13-5-14(16)7-18-15(13)19-8-11(3)20-12(4)9-19/h5,7,10-12,17H,6,8-9H2,1-4H3.
What are the key properties of N-[[5-bromo-2-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]propan-2-amine?
N-[[5-bromo-2-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]propan-2-amine has a molecular weight of 342.28 g/mol, XLogP of 2.96, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-bromo-2-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]propan-2-amine is sourced from PubChem (CID 62284579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).