N-[(5-bromo-3-pyridinyl)methyl]-1-(4-ethylmorpholin-2-yl)methanamine

C13H20BrN3O — CID 113235638

IUPACN-[(5-bromo-3-pyridinyl)methyl]-1-(4-ethylmorpholin-2-yl)methanamine
SMILESCCN1CCOC(CNCc2cncc(Br)c2)C1
InChIInChI=1S/C13H20BrN3O/c1-2-17-3-4-18-13(10-17)9-16-7-11-5-12(14)8-15-6-11/h5-6,8,13,16H,2-4,7,9-10H2,1H3
InChIKeyJKEJPLKZZLHJJV-UHFFFAOYSA-N
MW314.23 g/mol
LogP1.65
Rot. Bonds5

About N-[(5-bromo-3-pyridinyl)methyl]-1-(4-ethylmorpholin-2-yl)methanamine

N-[(5-bromo-3-pyridinyl)methyl]-1-(4-ethylmorpholin-2-yl)methanamine (PubChem CID 113235638) has the molecular formula C13H20BrN3O and a molecular weight of 314.23 g/mol. Its IUPAC name is N-[(5-bromo-3-pyridinyl)methyl]-1-(4-ethylmorpholin-2-yl)methanamine.

Molecular Properties

Compound NameN-[(5-bromo-3-pyridinyl)methyl]-1-(4-ethylmorpholin-2-yl)methanamine
PubChem CID113235638
Molecular FormulaC13H20BrN3O
Molecular Weight314.23 g/mol
Exact Mass313.08
IUPAC NameN-[(5-bromo-3-pyridinyl)methyl]-1-(4-ethylmorpholin-2-yl)methanamine
SMILESCCN1CCOC(CNCc2cncc(Br)c2)C1
InChIInChI=1S/C13H20BrN3O/c1-2-17-3-4-18-13(10-17)9-16-7-11-5-12(14)8-15-6-11/h5-6,8,13,16H,2-4,7,9-10H2,1H3
InChIKeyJKEJPLKZZLHJJV-UHFFFAOYSA-N
XLogP1.65
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.23
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(5-bromo-3-pyridinyl)methyl]-1-(1,4-dioxan-2-yl)methanamine
CID 104796776
1-[(2R)-4-ethylmorpholin-2-yl]-N-[(2-morpholin-4-ylpyrimidin-5-yl)methyl]methanamine
CID 95328397
1-(4-ethylmorpholin-2-yl)-N-(pyrazin-2-ylmethyl)methanamine
CID 114399662
1-(4-ethylmorpholin-2-yl)-N-[(1-ethylpyrrol-3-yl)methyl]methanamine
CID 114399548
5-bromo-N-[(4-ethylmorpholin-2-yl)methyl]-3-methylpyridin-2-amine
CID 115693777
[4-[(5-bromo-3-pyridinyl)methyl]morpholin-2-yl]methanol
CID 115681315
1-(4-ethylmorpholin-2-yl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]methanamine
CID 114180316
1-(4-ethylmorpholin-2-yl)-N-[[4-(methoxymethyl)phenyl]methyl]methanamine
CID 115653577
N-[(4-bromothiophen-3-yl)methyl]-1-(4-ethylmorpholin-2-yl)methanamine
CID 112739673
4-[[(4-ethylmorpholin-2-yl)methylamino]methyl]benzoic acid
CID 114399651
N-[(5-bromo-2,3-dihydro-1-benzofuran-7-yl)methyl]-1-(4-ethylmorpholin-2-yl)methanamine
CID 104702435
N-[(3-bromothiophen-2-yl)methyl]-1-(4-ethylmorpholin-2-yl)methanamine
CID 78960579

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromo-3-pyridinyl)methyl]-1-(4-ethylmorpholin-2-yl)methanamine?
The IUPAC name of N-[(5-bromo-3-pyridinyl)methyl]-1-(4-ethylmorpholin-2-yl)methanamine (CID 113235638) is N-[(5-bromo-3-pyridinyl)methyl]-1-(4-ethylmorpholin-2-yl)methanamine.
What is the SMILES notation for N-[(5-bromo-3-pyridinyl)methyl]-1-(4-ethylmorpholin-2-yl)methanamine?
The canonical SMILES for N-[(5-bromo-3-pyridinyl)methyl]-1-(4-ethylmorpholin-2-yl)methanamine is CCN1CCOC(CNCc2cncc(Br)c2)C1.
What is the InChIKey of N-[(5-bromo-3-pyridinyl)methyl]-1-(4-ethylmorpholin-2-yl)methanamine?
The InChIKey is JKEJPLKZZLHJJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20BrN3O/c1-2-17-3-4-18-13(10-17)9-16-7-11-5-12(14)8-15-6-11/h5-6,8,13,16H,2-4,7,9-10H2,1H3.
What are the key properties of N-[(5-bromo-3-pyridinyl)methyl]-1-(4-ethylmorpholin-2-yl)methanamine?
N-[(5-bromo-3-pyridinyl)methyl]-1-(4-ethylmorpholin-2-yl)methanamine has a molecular weight of 314.23 g/mol, XLogP of 1.65, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromo-3-pyridinyl)methyl]-1-(4-ethylmorpholin-2-yl)methanamine is sourced from PubChem (CID 113235638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).