1-[6-(chloromethyl)-2-pyridinyl]-N-[(2-methoxyphenyl)methyl]-N-(pyridin-2-ylmethyl)methanamine

C21H22ClN3O — CID 135207665

IUPAC1-[6-(chloromethyl)-2-pyridinyl]-N-[(2-methoxyphenyl)methyl]-N-(pyridin-2-ylmethyl)methanamine
SMILESCOc1ccccc1CN(Cc1ccccn1)Cc1cccc(CCl)n1
InChIInChI=1S/C21H22ClN3O/c1-26-21-11-3-2-7-17(21)14-25(15-19-8-4-5-12-23-19)16-20-10-6-9-18(13-22)24-20/h2-12H,13-16H2,1H3
InChIKeyFZJILJSRTOOXLI-UHFFFAOYSA-N
MW367.88 g/mol
LogP4.43
Rot. Bonds8

About 1-[6-(chloromethyl)-2-pyridinyl]-N-[(2-methoxyphenyl)methyl]-N-(pyridin-2-ylmethyl)methanamine

1-[6-(chloromethyl)-2-pyridinyl]-N-[(2-methoxyphenyl)methyl]-N-(pyridin-2-ylmethyl)methanamine (PubChem CID 135207665) has the molecular formula C21H22ClN3O and a molecular weight of 367.88 g/mol. Its IUPAC name is 1-[6-(chloromethyl)-2-pyridinyl]-N-[(2-methoxyphenyl)methyl]-N-(pyridin-2-ylmethyl)methanamine.

Molecular Properties

Compound Name1-[6-(chloromethyl)-2-pyridinyl]-N-[(2-methoxyphenyl)methyl]-N-(pyridin-2-ylmethyl)methanamine
PubChem CID135207665
Molecular FormulaC21H22ClN3O
Molecular Weight367.88 g/mol
Exact Mass367.15
IUPAC Name1-[6-(chloromethyl)-2-pyridinyl]-N-[(2-methoxyphenyl)methyl]-N-(pyridin-2-ylmethyl)methanamine
SMILESCOc1ccccc1CN(Cc1ccccn1)Cc1cccc(CCl)n1
InChIInChI=1S/C21H22ClN3O/c1-26-21-11-3-2-7-17(21)14-25(15-19-8-4-5-12-23-19)16-20-10-6-9-18(13-22)24-20/h2-12H,13-16H2,1H3
InChIKeyFZJILJSRTOOXLI-UHFFFAOYSA-N
XLogP4.43
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.88
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

6-bromo-N-[(2-methoxyphenyl)methyl]-N-(pyridin-2-ylmethyl)hexan-1-amine
CID 67128562
1-[2-[[bis(pyridin-2-ylmethyl)amino]methyl]phenyl]-N,N-bis(pyridin-2-ylmethyl)methanamine
CID 54154120
N-[(2-methoxyphenyl)methyl]-1-[(2R)-oxolan-2-yl]-N-(pyridin-2-ylmethyl)methanamine
CID 95275137
copper;1-pyridin-2-yl-N,N-bis(pyridin-2-ylmethyl)methanamine
CID 130339696
2-tert-butyl-6-[[(3-tert-butyl-2-oxidophenyl)methyl-(pyridin-2-ylmethyl)amino]methyl]phenolate;bis(oxygen(2-));tungsten
CID 139161573
2-[[bis(pyridin-2-ylmethyl)amino]methyl]-6-methylphenol
CID 169201495
2-[[bis(pyridin-2-ylmethyl)amino]methyl]aniline
CID 69057347
2-[(2,4-dimethoxyphenyl)methyl-(pyridin-2-ylmethyl)amino]ethanol
CID 111116702
2-[[(2-oxidophenyl)methyl-(pyridin-2-ylmethyl)amino]methyl]phenolate;bis(oxygen(2-));tungsten
CID 139162848
N-[(2-methoxyphenyl)methyl]-N-[(2-propan-2-ylpyrimidin-4-yl)methyl]-1-pyridin-3-ylmethanamine
CID 46986491
N'-[(4,5-dimethoxy-2-methylphenyl)methyl]-N,N-dimethyl-N'-(pyridin-2-ylmethyl)ethane-1,2-diamine
CID 16677828
1-(6-phenyl-2-pyridinyl)-N-[(6-phenyl-2-pyridinyl)methyl]-N-(pyridin-2-ylmethyl)methanamine
CID 57459973

Frequently Asked Questions

What is the IUPAC name of 1-[6-(chloromethyl)-2-pyridinyl]-N-[(2-methoxyphenyl)methyl]-N-(pyridin-2-ylmethyl)methanamine?
The IUPAC name of 1-[6-(chloromethyl)-2-pyridinyl]-N-[(2-methoxyphenyl)methyl]-N-(pyridin-2-ylmethyl)methanamine (CID 135207665) is 1-[6-(chloromethyl)-2-pyridinyl]-N-[(2-methoxyphenyl)methyl]-N-(pyridin-2-ylmethyl)methanamine.
What is the SMILES notation for 1-[6-(chloromethyl)-2-pyridinyl]-N-[(2-methoxyphenyl)methyl]-N-(pyridin-2-ylmethyl)methanamine?
The canonical SMILES for 1-[6-(chloromethyl)-2-pyridinyl]-N-[(2-methoxyphenyl)methyl]-N-(pyridin-2-ylmethyl)methanamine is COc1ccccc1CN(Cc1ccccn1)Cc1cccc(CCl)n1.
What is the InChIKey of 1-[6-(chloromethyl)-2-pyridinyl]-N-[(2-methoxyphenyl)methyl]-N-(pyridin-2-ylmethyl)methanamine?
The InChIKey is FZJILJSRTOOXLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22ClN3O/c1-26-21-11-3-2-7-17(21)14-25(15-19-8-4-5-12-23-19)16-20-10-6-9-18(13-22)24-20/h2-12H,13-16H2,1H3.
What are the key properties of 1-[6-(chloromethyl)-2-pyridinyl]-N-[(2-methoxyphenyl)methyl]-N-(pyridin-2-ylmethyl)methanamine?
1-[6-(chloromethyl)-2-pyridinyl]-N-[(2-methoxyphenyl)methyl]-N-(pyridin-2-ylmethyl)methanamine has a molecular weight of 367.88 g/mol, XLogP of 4.43, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(chloromethyl)-2-pyridinyl]-N-[(2-methoxyphenyl)methyl]-N-(pyridin-2-ylmethyl)methanamine is sourced from PubChem (CID 135207665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).