N-[(3,4-dimethoxy-2-pyridinyl)methyl]aniline

C14H16N2O2 — CID 103172115

IUPACN-[(3,4-dimethoxy-2-pyridinyl)methyl]aniline
SMILESCOc1ccnc(CNc2ccccc2)c1OC
InChIInChI=1S/C14H16N2O2/c1-17-13-8-9-15-12(14(13)18-2)10-16-11-6-4-3-5-7-11/h3-9,16H,10H2,1-2H3
InChIKeyQCJNFFJMKDPOBK-UHFFFAOYSA-N
MW244.29 g/mol
LogP2.71
Rot. Bonds5

About N-[(3,4-dimethoxy-2-pyridinyl)methyl]aniline

N-[(3,4-dimethoxy-2-pyridinyl)methyl]aniline (PubChem CID 103172115) has the molecular formula C14H16N2O2 and a molecular weight of 244.29 g/mol. Its IUPAC name is N-[(3,4-dimethoxy-2-pyridinyl)methyl]aniline.

Molecular Properties

Compound NameN-[(3,4-dimethoxy-2-pyridinyl)methyl]aniline
PubChem CID103172115
Molecular FormulaC14H16N2O2
Molecular Weight244.29 g/mol
Exact Mass244.12
IUPAC NameN-[(3,4-dimethoxy-2-pyridinyl)methyl]aniline
SMILESCOc1ccnc(CNc2ccccc2)c1OC
InChIInChI=1S/C14H16N2O2/c1-17-13-8-9-15-12(14(13)18-2)10-16-11-6-4-3-5-7-11/h3-9,16H,10H2,1-2H3
InChIKeyQCJNFFJMKDPOBK-UHFFFAOYSA-N
XLogP2.71
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3,4-dimethoxy-2-pyridinyl)-N-methoxymethanamine
CID 103172527
2-benzyl-3,4-dimethoxypyridine
CID 141149610
N-[(3,4-dimethoxy-2-pyridinyl)methyl]-3-fluoro-5-methylaniline
CID 103172567
2-[(3,4-dimethoxy-2-pyridinyl)methylamino]benzonitrile
CID 103172165
N-[(3,4-dimethoxy-2-pyridinyl)methyl]-2-methylbutan-2-amine
CID 103172116
N-[(3,4-dimethoxy-2-pyridinyl)methyl]-2-phenylsulfanylethanamine
CID 103172287
3-[(3,4-dimethoxy-2-pyridinyl)methylamino]propan-1-ol
CID 103172250
1-chloro-N-[(3,4-dimethoxy-2-pyridinyl)methyl]-2-methylpropan-2-amine
CID 103173955
1-(2-bromophenyl)-N-[(3,4-dimethoxy-2-pyridinyl)methyl]methanamine
CID 103172321
N-[(2,3,4-trimethoxyphenyl)methyl]aniline
CID 3351558
2,4,5-trichloro-N-[(3,4-dimethoxy-2-pyridinyl)methyl]aniline
CID 103172138
3-bromo-N-[(3,4-dimethoxy-2-pyridinyl)methyl]-2-methylaniline
CID 107633545

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dimethoxy-2-pyridinyl)methyl]aniline?
The IUPAC name of N-[(3,4-dimethoxy-2-pyridinyl)methyl]aniline (CID 103172115) is N-[(3,4-dimethoxy-2-pyridinyl)methyl]aniline.
What is the SMILES notation for N-[(3,4-dimethoxy-2-pyridinyl)methyl]aniline?
The canonical SMILES for N-[(3,4-dimethoxy-2-pyridinyl)methyl]aniline is COc1ccnc(CNc2ccccc2)c1OC.
What is the InChIKey of N-[(3,4-dimethoxy-2-pyridinyl)methyl]aniline?
The InChIKey is QCJNFFJMKDPOBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2/c1-17-13-8-9-15-12(14(13)18-2)10-16-11-6-4-3-5-7-11/h3-9,16H,10H2,1-2H3.
What are the key properties of N-[(3,4-dimethoxy-2-pyridinyl)methyl]aniline?
N-[(3,4-dimethoxy-2-pyridinyl)methyl]aniline has a molecular weight of 244.29 g/mol, XLogP of 2.71, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-dimethoxy-2-pyridinyl)methyl]aniline is sourced from PubChem (CID 103172115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).