N-[[4-(3-chloro-2-pyridinyl)morpholin-3-yl]methyl]propan-1-amine

C13H20ClN3O — CID 83105942

IUPACN-[[4-(3-chloro-2-pyridinyl)morpholin-3-yl]methyl]propan-1-amine
SMILESCCCNCC1COCCN1c1ncccc1Cl
InChIInChI=1S/C13H20ClN3O/c1-2-5-15-9-11-10-18-8-7-17(11)13-12(14)4-3-6-16-13/h3-4,6,11,15H,2,5,7-10H2,1H3
InChIKeyZTUDNVHYNKKTKK-UHFFFAOYSA-N
MW269.78 g/mol
LogP1.94
Rot. Bonds5

About N-[[4-(3-chloro-2-pyridinyl)morpholin-3-yl]methyl]propan-1-amine

N-[[4-(3-chloro-2-pyridinyl)morpholin-3-yl]methyl]propan-1-amine (PubChem CID 83105942) has the molecular formula C13H20ClN3O and a molecular weight of 269.78 g/mol. Its IUPAC name is N-[[4-(3-chloro-2-pyridinyl)morpholin-3-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[4-(3-chloro-2-pyridinyl)morpholin-3-yl]methyl]propan-1-amine
PubChem CID83105942
Molecular FormulaC13H20ClN3O
Molecular Weight269.78 g/mol
Exact Mass269.13
IUPAC NameN-[[4-(3-chloro-2-pyridinyl)morpholin-3-yl]methyl]propan-1-amine
SMILESCCCNCC1COCCN1c1ncccc1Cl
InChIInChI=1S/C13H20ClN3O/c1-2-5-15-9-11-10-18-8-7-17(11)13-12(14)4-3-6-16-13/h3-4,6,11,15H,2,5,7-10H2,1H3
InChIKeyZTUDNVHYNKKTKK-UHFFFAOYSA-N
XLogP1.94
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.78
LogP ≤ 51.94
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-methylsulfonyl-2-pyridinyl)morpholin-3-yl]methyl]propan-1-amine
CID 114599597
N-[[4-(5-bromo-3-chloro-2-pyridinyl)morpholin-3-yl]methyl]propan-1-amine
CID 103584045
1-propyl-3-[3-(propylaminomethyl)morpholin-4-yl]pyrazin-2-one
CID 83105741
N-[[4-[(2,6-dichlorophenyl)methyl]morpholin-3-yl]methyl]propan-1-amine
CID 83100086
N-[[5-chloro-6-(3-ethylmorpholin-4-yl)-3-pyridinyl]methyl]propan-1-amine
CID 62283822
methyl 4-(3-chloro-2-pyridinyl)morpholine-3-carboxylate
CID 104775121
N-[(4-methylmorpholin-3-yl)methyl]propan-1-amine
CID 83100500
N-[[4-(pyridin-3-ylmethyl)morpholin-3-yl]methyl]propan-1-amine
CID 83100255
N-[[2-(3-ethylmorpholin-4-yl)-3-pyridinyl]methyl]cyclopropanamine
CID 62283293
N-[[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]morpholin-3-yl]methyl]ethanamine
CID 83106018
N-[[4-[(4-chlorophenyl)methyl]morpholin-3-yl]methyl]propan-1-amine
CID 83100002
N-[[4-(5-bromo-4-methoxypyrimidin-2-yl)morpholin-3-yl]methyl]propan-1-amine
CID 106999679

Frequently Asked Questions

What is the IUPAC name of N-[[4-(3-chloro-2-pyridinyl)morpholin-3-yl]methyl]propan-1-amine?
The IUPAC name of N-[[4-(3-chloro-2-pyridinyl)morpholin-3-yl]methyl]propan-1-amine (CID 83105942) is N-[[4-(3-chloro-2-pyridinyl)morpholin-3-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[[4-(3-chloro-2-pyridinyl)morpholin-3-yl]methyl]propan-1-amine?
The canonical SMILES for N-[[4-(3-chloro-2-pyridinyl)morpholin-3-yl]methyl]propan-1-amine is CCCNCC1COCCN1c1ncccc1Cl.
What is the InChIKey of N-[[4-(3-chloro-2-pyridinyl)morpholin-3-yl]methyl]propan-1-amine?
The InChIKey is ZTUDNVHYNKKTKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClN3O/c1-2-5-15-9-11-10-18-8-7-17(11)13-12(14)4-3-6-16-13/h3-4,6,11,15H,2,5,7-10H2,1H3.
What are the key properties of N-[[4-(3-chloro-2-pyridinyl)morpholin-3-yl]methyl]propan-1-amine?
N-[[4-(3-chloro-2-pyridinyl)morpholin-3-yl]methyl]propan-1-amine has a molecular weight of 269.78 g/mol, XLogP of 1.94, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(3-chloro-2-pyridinyl)morpholin-3-yl]methyl]propan-1-amine is sourced from PubChem (CID 83105942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).