[4-[(2-chloro-4-pyridinyl)methyl]morpholin-2-yl]methanamine

C11H16ClN3O — CID 114394884

IUPAC[4-[(2-chloro-4-pyridinyl)methyl]morpholin-2-yl]methanamine
SMILESNCC1CN(Cc2ccnc(Cl)c2)CCO1
InChIInChI=1S/C11H16ClN3O/c12-11-5-9(1-2-14-11)7-15-3-4-16-10(6-13)8-15/h1-2,5,10H,3-4,6-8,13H2
InChIKeyVELQYGIYEQLFIS-UHFFFAOYSA-N
MW241.72 g/mol
LogP0.89
Rot. Bonds3

About [4-[(2-chloro-4-pyridinyl)methyl]morpholin-2-yl]methanamine

[4-[(2-chloro-4-pyridinyl)methyl]morpholin-2-yl]methanamine (PubChem CID 114394884) has the molecular formula C11H16ClN3O and a molecular weight of 241.72 g/mol. Its IUPAC name is [4-[(2-chloro-4-pyridinyl)methyl]morpholin-2-yl]methanamine.

Molecular Properties

Compound Name[4-[(2-chloro-4-pyridinyl)methyl]morpholin-2-yl]methanamine
PubChem CID114394884
Molecular FormulaC11H16ClN3O
Molecular Weight241.72 g/mol
Exact Mass241.10
IUPAC Name[4-[(2-chloro-4-pyridinyl)methyl]morpholin-2-yl]methanamine
SMILESNCC1CN(Cc2ccnc(Cl)c2)CCO1
InChIInChI=1S/C11H16ClN3O/c12-11-5-9(1-2-14-11)7-15-3-4-16-10(6-13)8-15/h1-2,5,10H,3-4,6-8,13H2
InChIKeyVELQYGIYEQLFIS-UHFFFAOYSA-N
XLogP0.89
TPSA51.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.72
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze [4-[(2-chloro-4-pyridinyl)methyl]morpholin-2-yl]methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[4-[(3,4-dichlorophenyl)methyl]morpholin-2-yl]methanamine
CID 10308229
[(2R)-4-[(3,4-dichlorophenyl)methyl]morpholin-2-yl]methanamine
CID 11346392
[4-[(2-ethylmorpholin-4-yl)methyl]-2-pyridinyl]methanamine
CID 63886681
[4-[(4-propan-2-ylphenyl)methyl]morpholin-2-yl]methanamine
CID 61338959
4-[(2-chloro-4-pyridinyl)methyl]-2-methyl-1,4-oxazepane
CID 62988182
4-[(2-ethylmorpholin-4-yl)methyl]pyridine-2-carbothioamide
CID 63882475
4-[[2-(aminomethyl)morpholin-4-yl]methyl]benzonitrile
CID 14881842
[4-[(2-hydrazinyl-4-pyridinyl)methyl]morpholin-2-yl]methanol
CID 81213030
(3S,4R)-1-[(2-chloro-4-pyridinyl)methyl]pyrrolidine-3,4-diol
CID 79410495
[4-[(2,4-dichlorophenyl)methyl]morpholin-2-yl]methanamine
CID 114393379
[4-[[4-(difluoromethyl)phenyl]methyl]morpholin-2-yl]methanamine;hydrochloride
CID 120844386
2-(chloromethyl)-4-(pyridin-4-ylmethyl)morpholine
CID 81210247

Frequently Asked Questions

What is the IUPAC name of [4-[(2-chloro-4-pyridinyl)methyl]morpholin-2-yl]methanamine?
The IUPAC name of [4-[(2-chloro-4-pyridinyl)methyl]morpholin-2-yl]methanamine (CID 114394884) is [4-[(2-chloro-4-pyridinyl)methyl]morpholin-2-yl]methanamine.
What is the SMILES notation for [4-[(2-chloro-4-pyridinyl)methyl]morpholin-2-yl]methanamine?
The canonical SMILES for [4-[(2-chloro-4-pyridinyl)methyl]morpholin-2-yl]methanamine is NCC1CN(Cc2ccnc(Cl)c2)CCO1.
What is the InChIKey of [4-[(2-chloro-4-pyridinyl)methyl]morpholin-2-yl]methanamine?
The InChIKey is VELQYGIYEQLFIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClN3O/c12-11-5-9(1-2-14-11)7-15-3-4-16-10(6-13)8-15/h1-2,5,10H,3-4,6-8,13H2.
What are the key properties of [4-[(2-chloro-4-pyridinyl)methyl]morpholin-2-yl]methanamine?
[4-[(2-chloro-4-pyridinyl)methyl]morpholin-2-yl]methanamine has a molecular weight of 241.72 g/mol, XLogP of 0.89, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(2-chloro-4-pyridinyl)methyl]morpholin-2-yl]methanamine is sourced from PubChem (CID 114394884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).