2-chloro-3-methoxy-N-[(6-methoxy-2-pyridinyl)methyl]-N-methylpropan-1-amine

C12H19ClN2O2 — CID 63985535

IUPAC2-chloro-3-methoxy-N-[(6-methoxy-2-pyridinyl)methyl]-N-methylpropan-1-amine
SMILESCOCC(Cl)CN(C)Cc1cccc(OC)n1
InChIInChI=1S/C12H19ClN2O2/c1-15(7-10(13)9-16-2)8-11-5-4-6-12(14-11)17-3/h4-6,10H,7-9H2,1-3H3
InChIKeyBJGXKFBVANXISO-UHFFFAOYSA-N
MW258.75 g/mol
LogP1.78
Rot. Bonds7

About 2-chloro-3-methoxy-N-[(6-methoxy-2-pyridinyl)methyl]-N-methylpropan-1-amine

2-chloro-3-methoxy-N-[(6-methoxy-2-pyridinyl)methyl]-N-methylpropan-1-amine (PubChem CID 63985535) has the molecular formula C12H19ClN2O2 and a molecular weight of 258.75 g/mol. Its IUPAC name is 2-chloro-3-methoxy-N-[(6-methoxy-2-pyridinyl)methyl]-N-methylpropan-1-amine.

Molecular Properties

Compound Name2-chloro-3-methoxy-N-[(6-methoxy-2-pyridinyl)methyl]-N-methylpropan-1-amine
PubChem CID63985535
Molecular FormulaC12H19ClN2O2
Molecular Weight258.75 g/mol
Exact Mass258.11
IUPAC Name2-chloro-3-methoxy-N-[(6-methoxy-2-pyridinyl)methyl]-N-methylpropan-1-amine
SMILESCOCC(Cl)CN(C)Cc1cccc(OC)n1
InChIInChI=1S/C12H19ClN2O2/c1-15(7-10(13)9-16-2)8-11-5-4-6-12(14-11)17-3/h4-6,10H,7-9H2,1-3H3
InChIKeyBJGXKFBVANXISO-UHFFFAOYSA-N
XLogP1.78
TPSA34.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.75
LogP ≤ 51.78
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

2-chloro-N-[(2-fluoro-3-methoxyphenyl)methyl]-3-methoxy-N-methylpropan-1-amine
CID 104794864
N'-[(6-methoxy-2-pyridinyl)methyl]-N,N'-dimethylethane-1,2-diamine
CID 63984704
2-chloro-3-methoxy-N-methyl-N-[(1-propan-2-ylpyrazol-3-yl)methyl]propan-1-amine
CID 64801718
2-chloro-3-methoxy-N-methyl-N-(quinolin-8-ylmethyl)propan-1-amine
CID 55184038
methyl 2-[(6-methoxy-2-pyridinyl)methyl-methylamino]acetate
CID 63984543
2-chloro-3-methoxy-N-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]propan-1-amine
CID 63388001
N-[(6-methoxy-2-pyridinyl)methyl]-N-methyl-2-piperazin-1-ylethanamine
CID 63986317
2-chloro-N-methyl-N-[(6-methyl-2-pyridinyl)methyl]propan-1-amine
CID 79260632
N-(2-chloro-3-methoxypropyl)-5-methoxy-N-methylpyridin-2-amine
CID 106505054
N-(2-chloroethyl)-N-[(6-methoxy-2-pyridinyl)methyl]propan-1-amine
CID 63985137
N'-[(6-methoxy-2-pyridinyl)methyl]-N'-propan-2-ylethane-1,2-diamine
CID 63993127
N-[(2-bromo-4-fluorophenyl)methyl]-2-chloro-3-methoxy-N-methylpropan-1-amine
CID 55183856

Frequently Asked Questions

What is the IUPAC name of 2-chloro-3-methoxy-N-[(6-methoxy-2-pyridinyl)methyl]-N-methylpropan-1-amine?
The IUPAC name of 2-chloro-3-methoxy-N-[(6-methoxy-2-pyridinyl)methyl]-N-methylpropan-1-amine (CID 63985535) is 2-chloro-3-methoxy-N-[(6-methoxy-2-pyridinyl)methyl]-N-methylpropan-1-amine.
What is the SMILES notation for 2-chloro-3-methoxy-N-[(6-methoxy-2-pyridinyl)methyl]-N-methylpropan-1-amine?
The canonical SMILES for 2-chloro-3-methoxy-N-[(6-methoxy-2-pyridinyl)methyl]-N-methylpropan-1-amine is COCC(Cl)CN(C)Cc1cccc(OC)n1.
What is the InChIKey of 2-chloro-3-methoxy-N-[(6-methoxy-2-pyridinyl)methyl]-N-methylpropan-1-amine?
The InChIKey is BJGXKFBVANXISO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19ClN2O2/c1-15(7-10(13)9-16-2)8-11-5-4-6-12(14-11)17-3/h4-6,10H,7-9H2,1-3H3.
What are the key properties of 2-chloro-3-methoxy-N-[(6-methoxy-2-pyridinyl)methyl]-N-methylpropan-1-amine?
2-chloro-3-methoxy-N-[(6-methoxy-2-pyridinyl)methyl]-N-methylpropan-1-amine has a molecular weight of 258.75 g/mol, XLogP of 1.78, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-3-methoxy-N-[(6-methoxy-2-pyridinyl)methyl]-N-methylpropan-1-amine is sourced from PubChem (CID 63985535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).