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

C15H17ClN2O3 — CID 103171956

IUPAC[4-chloro-2-[(3,4-dimethoxy-2-pyridinyl)methoxy]phenyl]methanamine
SMILESCOc1ccnc(COc2cc(Cl)ccc2CN)c1OC
InChIInChI=1S/C15H17ClN2O3/c1-19-13-5-6-18-12(15(13)20-2)9-21-14-7-11(16)4-3-10(14)8-17/h3-7H,8-9,17H2,1-2H3
InChIKeyFPLKDUBGHSCCFE-UHFFFAOYSA-N
MW308.77 g/mol
LogP2.79
Rot. Bonds6

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

[4-chloro-2-[(3,4-dimethoxy-2-pyridinyl)methoxy]phenyl]methanamine (PubChem CID 103171956) has the molecular formula C15H17ClN2O3 and a molecular weight of 308.77 g/mol. Its IUPAC name is [4-chloro-2-[(3,4-dimethoxy-2-pyridinyl)methoxy]phenyl]methanamine.

Molecular Properties

Compound Name[4-chloro-2-[(3,4-dimethoxy-2-pyridinyl)methoxy]phenyl]methanamine
PubChem CID103171956
Molecular FormulaC15H17ClN2O3
Molecular Weight308.77 g/mol
Exact Mass308.09
IUPAC Name[4-chloro-2-[(3,4-dimethoxy-2-pyridinyl)methoxy]phenyl]methanamine
SMILESCOc1ccnc(COc2cc(Cl)ccc2CN)c1OC
InChIInChI=1S/C15H17ClN2O3/c1-19-13-5-6-18-12(15(13)20-2)9-21-14-7-11(16)4-3-10(14)8-17/h3-7H,8-9,17H2,1-2H3
InChIKeyFPLKDUBGHSCCFE-UHFFFAOYSA-N
XLogP2.79
TPSA66.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.77
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [4-chloro-2-[(3,4-dimethoxy-2-pyridinyl)methoxy]phenyl]methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-chloro-3-[(3,4-dimethoxy-2-pyridinyl)methoxy]aniline
CID 103171993
[2-[(3,4-dimethoxy-2-pyridinyl)methoxy]-3-fluorophenyl]methanamine
CID 103172064
[4-chloro-2-(pyridin-2-ylmethoxy)phenyl]methanamine
CID 113277219
2-[(3,4-dimethoxy-2-pyridinyl)methoxy]aniline
CID 103171960
4-[(3,4-dimethoxy-2-pyridinyl)methoxy]-3,5-dimethylaniline
CID 103171992
[4-chloro-2-[(4-ethylphenyl)methoxy]phenyl]methanamine
CID 114322356
3-[(3,4-dimethoxy-2-pyridinyl)methoxy]aniline
CID 103171961
2-[[2-chloro-6-(chloromethyl)phenoxy]methyl]-3,4-dimethoxypyridine
CID 103173382
2-(chloromethyl)-3,4-dimethoxypyridine
CID 5079722
2-[(2-bromophenoxy)methyl]-3,4-dimethoxypyridine
CID 103172955
2-[[4-(bromomethyl)-2-fluorophenoxy]methyl]-3,4-dimethoxypyridine
CID 107691675
[4-chloro-2-[(3-chloro-2-pyridinyl)oxy]phenyl]methanamine
CID 114323941

Frequently Asked Questions

What is the IUPAC name of [4-chloro-2-[(3,4-dimethoxy-2-pyridinyl)methoxy]phenyl]methanamine?
The IUPAC name of [4-chloro-2-[(3,4-dimethoxy-2-pyridinyl)methoxy]phenyl]methanamine (CID 103171956) is [4-chloro-2-[(3,4-dimethoxy-2-pyridinyl)methoxy]phenyl]methanamine.
What is the SMILES notation for [4-chloro-2-[(3,4-dimethoxy-2-pyridinyl)methoxy]phenyl]methanamine?
The canonical SMILES for [4-chloro-2-[(3,4-dimethoxy-2-pyridinyl)methoxy]phenyl]methanamine is COc1ccnc(COc2cc(Cl)ccc2CN)c1OC.
What is the InChIKey of [4-chloro-2-[(3,4-dimethoxy-2-pyridinyl)methoxy]phenyl]methanamine?
The InChIKey is FPLKDUBGHSCCFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2O3/c1-19-13-5-6-18-12(15(13)20-2)9-21-14-7-11(16)4-3-10(14)8-17/h3-7H,8-9,17H2,1-2H3.
What are the key properties of [4-chloro-2-[(3,4-dimethoxy-2-pyridinyl)methoxy]phenyl]methanamine?
[4-chloro-2-[(3,4-dimethoxy-2-pyridinyl)methoxy]phenyl]methanamine has a molecular weight of 308.77 g/mol, XLogP of 2.79, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-chloro-2-[(3,4-dimethoxy-2-pyridinyl)methoxy]phenyl]methanamine is sourced from PubChem (CID 103171956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).