N-methyl-3-[(3-methyl-2-nitrophenoxy)methyl]pyridin-2-amine

C14H15N3O3 — CID 62466380

IUPACN-methyl-3-[(3-methyl-2-nitrophenoxy)methyl]pyridin-2-amine
SMILESCNc1ncccc1COc1cccc(C)c1[N+](=O)[O-]
InChIInChI=1S/C14H15N3O3/c1-10-5-3-7-12(13(10)17(18)19)20-9-11-6-4-8-16-14(11)15-2/h3-8H,9H2,1-2H3,(H,15,16)
InChIKeyTVVNNQPWRQYIPL-UHFFFAOYSA-N
MW273.29 g/mol
LogP2.92
Rot. Bonds5

About N-methyl-3-[(3-methyl-2-nitrophenoxy)methyl]pyridin-2-amine

N-methyl-3-[(3-methyl-2-nitrophenoxy)methyl]pyridin-2-amine (PubChem CID 62466380) has the molecular formula C14H15N3O3 and a molecular weight of 273.29 g/mol. Its IUPAC name is N-methyl-3-[(3-methyl-2-nitrophenoxy)methyl]pyridin-2-amine.

Molecular Properties

Compound NameN-methyl-3-[(3-methyl-2-nitrophenoxy)methyl]pyridin-2-amine
PubChem CID62466380
Molecular FormulaC14H15N3O3
Molecular Weight273.29 g/mol
Exact Mass273.11
IUPAC NameN-methyl-3-[(3-methyl-2-nitrophenoxy)methyl]pyridin-2-amine
SMILESCNc1ncccc1COc1cccc(C)c1[N+](=O)[O-]
InChIInChI=1S/C14H15N3O3/c1-10-5-3-7-12(13(10)17(18)19)20-9-11-6-4-8-16-14(11)15-2/h3-8H,9H2,1-2H3,(H,15,16)
InChIKeyTVVNNQPWRQYIPL-UHFFFAOYSA-N
XLogP2.92
TPSA77.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.29
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-[(2,3-dimethylphenoxy)methyl]-N-methylpyridin-2-amine
CID 62464069
1-[[2-(difluoromethoxy)phenyl]methoxy]-3-methyl-2-nitrobenzene
CID 112828246
N,6-dimethyl-2-[(3-methyl-2-nitrophenoxy)methyl]pyrimidin-4-amine
CID 80664084
3-[(2-methoxyphenoxy)methyl]-N-methylpyridin-2-amine
CID 62464422
1-methyl-2-nitro-3-phenylmethoxybenzene
CID 3344187
2-fluoro-3-[(3-methyl-2-nitrophenoxy)methyl]benzonitrile
CID 103912351
2-[(3-methyl-2-nitrophenoxy)methyl]pyridin-4-amine
CID 79251934
N-ethyl-3-[(2-methyl-5-nitrophenoxy)methyl]pyridin-2-amine
CID 62466385
[3-[(2,5-dimethyl-4-nitrophenoxy)methyl]-2-pyridinyl]hydrazine
CID 63184291
6-N-methyl-4-N-(3-methyl-2-pyridinyl)-5-nitropyrimidine-4,6-diamine
CID 23486915
3-(methoxymethyl)-N-methylpyridin-2-amine
CID 62464572
3-[(3-methyl-2-nitrophenoxy)methyl]furan-2-carbohydrazide
CID 63570159

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-[(3-methyl-2-nitrophenoxy)methyl]pyridin-2-amine?
The IUPAC name of N-methyl-3-[(3-methyl-2-nitrophenoxy)methyl]pyridin-2-amine (CID 62466380) is N-methyl-3-[(3-methyl-2-nitrophenoxy)methyl]pyridin-2-amine.
What is the SMILES notation for N-methyl-3-[(3-methyl-2-nitrophenoxy)methyl]pyridin-2-amine?
The canonical SMILES for N-methyl-3-[(3-methyl-2-nitrophenoxy)methyl]pyridin-2-amine is CNc1ncccc1COc1cccc(C)c1[N+](=O)[O-].
What is the InChIKey of N-methyl-3-[(3-methyl-2-nitrophenoxy)methyl]pyridin-2-amine?
The InChIKey is TVVNNQPWRQYIPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O3/c1-10-5-3-7-12(13(10)17(18)19)20-9-11-6-4-8-16-14(11)15-2/h3-8H,9H2,1-2H3,(H,15,16).
What are the key properties of N-methyl-3-[(3-methyl-2-nitrophenoxy)methyl]pyridin-2-amine?
N-methyl-3-[(3-methyl-2-nitrophenoxy)methyl]pyridin-2-amine has a molecular weight of 273.29 g/mol, XLogP of 2.92, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-[(3-methyl-2-nitrophenoxy)methyl]pyridin-2-amine is sourced from PubChem (CID 62466380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).