N-methyl-1-[5-nitro-2-(pyridin-3-ylmethoxy)phenyl]methanamine

C14H15N3O3 — CID 43472667

IUPACN-methyl-1-[5-nitro-2-(pyridin-3-ylmethoxy)phenyl]methanamine
SMILESCNCc1cc([N+](=O)[O-])ccc1OCc1cccnc1
InChIInChI=1S/C14H15N3O3/c1-15-9-12-7-13(17(18)19)4-5-14(12)20-10-11-3-2-6-16-8-11/h2-8,15H,9-10H2,1H3
InChIKeyCDTHZUXQJHANFH-UHFFFAOYSA-N
MW273.29 g/mol
LogP2.29
Rot. Bonds6

About N-methyl-1-[5-nitro-2-(pyridin-3-ylmethoxy)phenyl]methanamine

N-methyl-1-[5-nitro-2-(pyridin-3-ylmethoxy)phenyl]methanamine (PubChem CID 43472667) has the molecular formula C14H15N3O3 and a molecular weight of 273.29 g/mol. Its IUPAC name is N-methyl-1-[5-nitro-2-(pyridin-3-ylmethoxy)phenyl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[5-nitro-2-(pyridin-3-ylmethoxy)phenyl]methanamine
PubChem CID43472667
Molecular FormulaC14H15N3O3
Molecular Weight273.29 g/mol
Exact Mass273.11
IUPAC NameN-methyl-1-[5-nitro-2-(pyridin-3-ylmethoxy)phenyl]methanamine
SMILESCNCc1cc([N+](=O)[O-])ccc1OCc1cccnc1
InChIInChI=1S/C14H15N3O3/c1-15-9-12-7-13(17(18)19)4-5-14(12)20-10-11-3-2-6-16-8-11/h2-8,15H,9-10H2,1H3
InChIKeyCDTHZUXQJHANFH-UHFFFAOYSA-N
XLogP2.29
TPSA77.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.29
LogP ≤ 52.29
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

N-methyl-1-[5-methyl-2-(pyridin-3-ylmethoxy)phenyl]methanamine
CID 63323196
1-[2-[(3-chlorophenyl)methoxy]-5-nitrophenyl]-N-methylmethanamine
CID 60889197
N-methyl-1-[4-nitro-3-(pyridin-3-ylmethoxy)phenyl]methanamine
CID 62116914
1-[2-[(4-chlorophenyl)methoxy]-5-nitrophenyl]-N-methylmethanamine
CID 60888633
N-methyl-1-[5-nitro-2-(2-phenylethoxy)phenyl]methanamine
CID 43472675
N-methyl-1-[5-nitro-2-(1,2-oxazol-5-ylmethoxy)phenyl]methanamine
CID 60889775
1-[3-methoxy-4-(pyridin-3-ylmethoxy)phenyl]-N-methylmethanamine
CID 43278584
[2-[(5-methyl-3-pyridinyl)methoxy]-5-nitrophenyl]methanamine
CID 102880371
4-[[2-(bromomethyl)-4-nitrophenoxy]methyl]pyridine
CID 43473066
3-ethoxy-N-(3-nitrophenyl)-4-(pyridin-3-ylmethoxy)benzamide
CID 39269336
N-methyl-1-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-5-nitrophenyl]methanamine
CID 115942201
3-bromo-5-[[2-(bromomethyl)-4-nitrophenoxy]methyl]pyridine
CID 104799091

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[5-nitro-2-(pyridin-3-ylmethoxy)phenyl]methanamine?
The IUPAC name of N-methyl-1-[5-nitro-2-(pyridin-3-ylmethoxy)phenyl]methanamine (CID 43472667) is N-methyl-1-[5-nitro-2-(pyridin-3-ylmethoxy)phenyl]methanamine.
What is the SMILES notation for N-methyl-1-[5-nitro-2-(pyridin-3-ylmethoxy)phenyl]methanamine?
The canonical SMILES for N-methyl-1-[5-nitro-2-(pyridin-3-ylmethoxy)phenyl]methanamine is CNCc1cc([N+](=O)[O-])ccc1OCc1cccnc1.
What is the InChIKey of N-methyl-1-[5-nitro-2-(pyridin-3-ylmethoxy)phenyl]methanamine?
The InChIKey is CDTHZUXQJHANFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O3/c1-15-9-12-7-13(17(18)19)4-5-14(12)20-10-11-3-2-6-16-8-11/h2-8,15H,9-10H2,1H3.
What are the key properties of N-methyl-1-[5-nitro-2-(pyridin-3-ylmethoxy)phenyl]methanamine?
N-methyl-1-[5-nitro-2-(pyridin-3-ylmethoxy)phenyl]methanamine has a molecular weight of 273.29 g/mol, XLogP of 2.29, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[5-nitro-2-(pyridin-3-ylmethoxy)phenyl]methanamine is sourced from PubChem (CID 43472667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).