2-chloro-N-[(3-fluoro-4-morpholin-4-ylphenyl)methyl]pyridin-4-amine

C16H17ClFN3O — CID 133359820

IUPAC2-chloro-N-[(3-fluoro-4-morpholin-4-ylphenyl)methyl]pyridin-4-amine
SMILESFc1cc(CNc2ccnc(Cl)c2)ccc1N1CCOCC1
InChIInChI=1S/C16H17ClFN3O/c17-16-10-13(3-4-19-16)20-11-12-1-2-15(14(18)9-12)21-5-7-22-8-6-21/h1-4,9-10H,5-8,11H2,(H,19,20)
InChIKeyGNAJWGCROPZMDQ-UHFFFAOYSA-N
MW321.78 g/mol
LogP3.32
Rot. Bonds4

About 2-chloro-N-[(3-fluoro-4-morpholin-4-ylphenyl)methyl]pyridin-4-amine

2-chloro-N-[(3-fluoro-4-morpholin-4-ylphenyl)methyl]pyridin-4-amine (PubChem CID 133359820) has the molecular formula C16H17ClFN3O and a molecular weight of 321.78 g/mol. Its IUPAC name is 2-chloro-N-[(3-fluoro-4-morpholin-4-ylphenyl)methyl]pyridin-4-amine.

Molecular Properties

Compound Name2-chloro-N-[(3-fluoro-4-morpholin-4-ylphenyl)methyl]pyridin-4-amine
PubChem CID133359820
Molecular FormulaC16H17ClFN3O
Molecular Weight321.78 g/mol
Exact Mass321.10
IUPAC Name2-chloro-N-[(3-fluoro-4-morpholin-4-ylphenyl)methyl]pyridin-4-amine
SMILESFc1cc(CNc2ccnc(Cl)c2)ccc1N1CCOCC1
InChIInChI=1S/C16H17ClFN3O/c17-16-10-13(3-4-19-16)20-11-12-1-2-15(14(18)9-12)21-5-7-22-8-6-21/h1-4,9-10H,5-8,11H2,(H,19,20)
InChIKeyGNAJWGCROPZMDQ-UHFFFAOYSA-N
XLogP3.32
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.78
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[(3-fluoro-4-morpholin-4-ylphenyl)methyl]-6-piperidin-1-ylpyrimidin-4-amine
CID 133297696
2-chloro-N-(2-morpholin-4-ylphenyl)pyridin-4-amine
CID 142656515
[5-chloro-6-[(3-fluoro-4-morpholin-4-ylphenyl)methylamino]-3-pyridinyl]-piperidin-1-ylmethanone
CID 133271107
N-ethyl-3-fluoro-4-morpholin-4-ylaniline
CID 123788462
2-(3-fluoro-4-morpholin-4-ylphenyl)ethanamine
CID 63784903
4-[(5-chloro-2-morpholin-4-ylphenyl)methylamino]pyridine-2-carboxamide
CID 167918382
2-chloro-N-[(2-piperidin-1-ylphenyl)methyl]pyridin-4-amine
CID 133439763
5-[(3-chloro-4-morpholin-4-ylanilino)methyl]-1,3-dimethylbenzimidazol-2-one
CID 39860577
(1R)-N-[(3-fluoro-4-morpholin-4-ylphenyl)methyl]-1-(4-fluorophenyl)ethanamine
CID 95177713
(2S,3S)-N-[(3-fluoro-4-morpholin-4-ylphenyl)methyl]-2-(1-methylimidazol-2-yl)oxolan-3-amine
CID 128976408
3-fluoro-4-morpholin-4-yl-N-(oxiran-2-ylmethyl)aniline
CID 123224004
methyl 5-[(4-fluorophenyl)methylamino]-2-morpholin-4-ylbenzoate
CID 2997066

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(3-fluoro-4-morpholin-4-ylphenyl)methyl]pyridin-4-amine?
The IUPAC name of 2-chloro-N-[(3-fluoro-4-morpholin-4-ylphenyl)methyl]pyridin-4-amine (CID 133359820) is 2-chloro-N-[(3-fluoro-4-morpholin-4-ylphenyl)methyl]pyridin-4-amine.
What is the SMILES notation for 2-chloro-N-[(3-fluoro-4-morpholin-4-ylphenyl)methyl]pyridin-4-amine?
The canonical SMILES for 2-chloro-N-[(3-fluoro-4-morpholin-4-ylphenyl)methyl]pyridin-4-amine is Fc1cc(CNc2ccnc(Cl)c2)ccc1N1CCOCC1.
What is the InChIKey of 2-chloro-N-[(3-fluoro-4-morpholin-4-ylphenyl)methyl]pyridin-4-amine?
The InChIKey is GNAJWGCROPZMDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClFN3O/c17-16-10-13(3-4-19-16)20-11-12-1-2-15(14(18)9-12)21-5-7-22-8-6-21/h1-4,9-10H,5-8,11H2,(H,19,20).
What are the key properties of 2-chloro-N-[(3-fluoro-4-morpholin-4-ylphenyl)methyl]pyridin-4-amine?
2-chloro-N-[(3-fluoro-4-morpholin-4-ylphenyl)methyl]pyridin-4-amine has a molecular weight of 321.78 g/mol, XLogP of 3.32, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(3-fluoro-4-morpholin-4-ylphenyl)methyl]pyridin-4-amine is sourced from PubChem (CID 133359820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).