4-chloro-3-[(3,4-dimethoxy-2-pyridinyl)methoxy]aniline

C14H15ClN2O3 — CID 103171993

IUPAC4-chloro-3-[(3,4-dimethoxy-2-pyridinyl)methoxy]aniline
SMILESCOc1ccnc(COc2cc(N)ccc2Cl)c1OC
InChIInChI=1S/C14H15ClN2O3/c1-18-12-5-6-17-11(14(12)19-2)8-20-13-7-9(16)3-4-10(13)15/h3-7H,8,16H2,1-2H3
InChIKeyJWJPCQMJKQERLW-UHFFFAOYSA-N
MW294.74 g/mol
LogP2.91
Rot. Bonds5

About 4-chloro-3-[(3,4-dimethoxy-2-pyridinyl)methoxy]aniline

4-chloro-3-[(3,4-dimethoxy-2-pyridinyl)methoxy]aniline (PubChem CID 103171993) has the molecular formula C14H15ClN2O3 and a molecular weight of 294.74 g/mol. Its IUPAC name is 4-chloro-3-[(3,4-dimethoxy-2-pyridinyl)methoxy]aniline.

Molecular Properties

Compound Name4-chloro-3-[(3,4-dimethoxy-2-pyridinyl)methoxy]aniline
PubChem CID103171993
Molecular FormulaC14H15ClN2O3
Molecular Weight294.74 g/mol
Exact Mass294.08
IUPAC Name4-chloro-3-[(3,4-dimethoxy-2-pyridinyl)methoxy]aniline
SMILESCOc1ccnc(COc2cc(N)ccc2Cl)c1OC
InChIInChI=1S/C14H15ClN2O3/c1-18-12-5-6-17-11(14(12)19-2)8-20-13-7-9(16)3-4-10(13)15/h3-7H,8,16H2,1-2H3
InChIKeyJWJPCQMJKQERLW-UHFFFAOYSA-N
XLogP2.91
TPSA66.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.74
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-[(3,4-dimethoxy-2-pyridinyl)methoxy]-3,5-dimethylaniline
CID 103171992
3-[(3,4-dimethoxy-2-pyridinyl)methoxy]aniline
CID 103171961
2-[(3,4-dimethoxy-2-pyridinyl)methoxy]aniline
CID 103171960
[4-chloro-2-[(3,4-dimethoxy-2-pyridinyl)methoxy]phenyl]methanamine
CID 103171956
2-[(2-bromophenoxy)methyl]-3,4-dimethoxypyridine
CID 103172955
2,4,5-trichloro-N-[(3,4-dimethoxy-2-pyridinyl)methyl]aniline
CID 103172138
2-[[2-chloro-6-(chloromethyl)phenoxy]methyl]-3,4-dimethoxypyridine
CID 103173382
2-(chloromethyl)-3,4-dimethoxypyridine
CID 5079722
(3,4-dimethoxy-2-pyridinyl)methyl 5-aminopyridine-2-carboxylate
CID 103173752
3,4-dimethoxy-2-[(2-propan-2-ylphenoxy)methyl]pyridine
CID 103174172
3-[(3,4-dimethoxy-2-pyridinyl)methylsulfinyl]aniline
CID 103174682
4-chloro-3-[(4-methoxy-6-methyl-2-pyridinyl)methoxy]aniline
CID 82891927

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-[(3,4-dimethoxy-2-pyridinyl)methoxy]aniline?
The IUPAC name of 4-chloro-3-[(3,4-dimethoxy-2-pyridinyl)methoxy]aniline (CID 103171993) is 4-chloro-3-[(3,4-dimethoxy-2-pyridinyl)methoxy]aniline.
What is the SMILES notation for 4-chloro-3-[(3,4-dimethoxy-2-pyridinyl)methoxy]aniline?
The canonical SMILES for 4-chloro-3-[(3,4-dimethoxy-2-pyridinyl)methoxy]aniline is COc1ccnc(COc2cc(N)ccc2Cl)c1OC.
What is the InChIKey of 4-chloro-3-[(3,4-dimethoxy-2-pyridinyl)methoxy]aniline?
The InChIKey is JWJPCQMJKQERLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2O3/c1-18-12-5-6-17-11(14(12)19-2)8-20-13-7-9(16)3-4-10(13)15/h3-7H,8,16H2,1-2H3.
What are the key properties of 4-chloro-3-[(3,4-dimethoxy-2-pyridinyl)methoxy]aniline?
4-chloro-3-[(3,4-dimethoxy-2-pyridinyl)methoxy]aniline has a molecular weight of 294.74 g/mol, XLogP of 2.91, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-[(3,4-dimethoxy-2-pyridinyl)methoxy]aniline is sourced from PubChem (CID 103171993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).