1-[4-(2-chloro-3-pyridinyl)phenyl]-N-methyl-2-morpholin-4-ylethanamine

C18H22ClN3O — CID 142734330

IUPAC1-[4-(2-chloro-3-pyridinyl)phenyl]-N-methyl-2-morpholin-4-ylethanamine
SMILESCNC(CN1CCOCC1)c1ccc(-c2cccnc2Cl)cc1
InChIInChI=1S/C18H22ClN3O/c1-20-17(13-22-9-11-23-12-10-22)15-6-4-14(5-7-15)16-3-2-8-21-18(16)19/h2-8,17,20H,9-13H2,1H3
InChIKeyGTKNTWOBXUVFHU-UHFFFAOYSA-N
MW331.85 g/mol
LogP2.99
Rot. Bonds5

About 1-[4-(2-chloro-3-pyridinyl)phenyl]-N-methyl-2-morpholin-4-ylethanamine

1-[4-(2-chloro-3-pyridinyl)phenyl]-N-methyl-2-morpholin-4-ylethanamine (PubChem CID 142734330) has the molecular formula C18H22ClN3O and a molecular weight of 331.85 g/mol. Its IUPAC name is 1-[4-(2-chloro-3-pyridinyl)phenyl]-N-methyl-2-morpholin-4-ylethanamine.

Molecular Properties

Compound Name1-[4-(2-chloro-3-pyridinyl)phenyl]-N-methyl-2-morpholin-4-ylethanamine
PubChem CID142734330
Molecular FormulaC18H22ClN3O
Molecular Weight331.85 g/mol
Exact Mass331.15
IUPAC Name1-[4-(2-chloro-3-pyridinyl)phenyl]-N-methyl-2-morpholin-4-ylethanamine
SMILESCNC(CN1CCOCC1)c1ccc(-c2cccnc2Cl)cc1
InChIInChI=1S/C18H22ClN3O/c1-20-17(13-22-9-11-23-12-10-22)15-6-4-14(5-7-15)16-3-2-8-21-18(16)19/h2-8,17,20H,9-13H2,1H3
InChIKeyGTKNTWOBXUVFHU-UHFFFAOYSA-N
XLogP2.99
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.85
LogP ≤ 52.99
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

1-[4-(2,6-dichloro-4-pyridinyl)phenyl]-N-methyl-2-pyrrolidin-1-ylethanamine
CID 142725857
N-methyl-1-(4-methylphenyl)-2-pyrrolidin-1-ylethanamine
CID 19439989
1-(4-methylphenyl)-N-(1-morpholin-4-ylpropan-2-yl)propan-1-amine
CID 43675888
N-[(3,4-dichlorophenyl)methyl]-2-morpholin-4-yl-1-phenylethanamine
CID 78823600
1-morpholin-4-yl-N-(pyrimidin-2-ylmethyl)propan-2-amine
CID 62699740
1-[4-(6-fluoro-3-pyridinyl)phenyl]-N-methyl-2-pyrrolidin-1-ylethanamine
CID 142725802
5-methyl-N-(2-morpholin-4-yl-1-phenylethyl)pyrimidin-2-amine
CID 138994630
N-[1-[4-(2-chloro-3-pyridinyl)phenyl]-2-pyrrolidin-1-ylethyl]-2-(6,7-dichloro-3-oxo-1,4-benzoxazin-4-yl)-N-methylacetamide
CID 142725877
2-chloro-N-[(1R)-1-(4-methylphenyl)-2-morpholin-4-ylethyl]benzenesulfonamide
CID 8844524
N-[1-(4-methylphenyl)-2-morpholin-4-ylethyl]quinazolin-4-amine
CID 24508581
N-methyl-1-(4-methylphenyl)-2-piperazin-1-ylethanamine
CID 116954879
4-[(2R)-2-(4-phenylphenyl)propyl]morpholine
CID 96566967

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-chloro-3-pyridinyl)phenyl]-N-methyl-2-morpholin-4-ylethanamine?
The IUPAC name of 1-[4-(2-chloro-3-pyridinyl)phenyl]-N-methyl-2-morpholin-4-ylethanamine (CID 142734330) is 1-[4-(2-chloro-3-pyridinyl)phenyl]-N-methyl-2-morpholin-4-ylethanamine.
What is the SMILES notation for 1-[4-(2-chloro-3-pyridinyl)phenyl]-N-methyl-2-morpholin-4-ylethanamine?
The canonical SMILES for 1-[4-(2-chloro-3-pyridinyl)phenyl]-N-methyl-2-morpholin-4-ylethanamine is CNC(CN1CCOCC1)c1ccc(-c2cccnc2Cl)cc1.
What is the InChIKey of 1-[4-(2-chloro-3-pyridinyl)phenyl]-N-methyl-2-morpholin-4-ylethanamine?
The InChIKey is GTKNTWOBXUVFHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22ClN3O/c1-20-17(13-22-9-11-23-12-10-22)15-6-4-14(5-7-15)16-3-2-8-21-18(16)19/h2-8,17,20H,9-13H2,1H3.
What are the key properties of 1-[4-(2-chloro-3-pyridinyl)phenyl]-N-methyl-2-morpholin-4-ylethanamine?
1-[4-(2-chloro-3-pyridinyl)phenyl]-N-methyl-2-morpholin-4-ylethanamine has a molecular weight of 331.85 g/mol, XLogP of 2.99, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-chloro-3-pyridinyl)phenyl]-N-methyl-2-morpholin-4-ylethanamine is sourced from PubChem (CID 142734330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).