1-[2-methoxy-5-(3-nitrophenyl)phenyl]-N-methylmethanamine

C15H16N2O3 — CID 61385585

IUPAC1-[2-methoxy-5-(3-nitrophenyl)phenyl]-N-methylmethanamine
SMILESCNCc1cc(-c2cccc([N+](=O)[O-])c2)ccc1OC
InChIInChI=1S/C15H16N2O3/c1-16-10-13-8-12(6-7-15(13)20-2)11-4-3-5-14(9-11)17(18)19/h3-9,16H,10H2,1-2H3
InChIKeyCDZIWIGNCMJRNB-UHFFFAOYSA-N
MW272.30 g/mol
LogP2.99
Rot. Bonds5

About 1-[2-methoxy-5-(3-nitrophenyl)phenyl]-N-methylmethanamine

1-[2-methoxy-5-(3-nitrophenyl)phenyl]-N-methylmethanamine (PubChem CID 61385585) has the molecular formula C15H16N2O3 and a molecular weight of 272.30 g/mol. Its IUPAC name is 1-[2-methoxy-5-(3-nitrophenyl)phenyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[2-methoxy-5-(3-nitrophenyl)phenyl]-N-methylmethanamine
PubChem CID61385585
Molecular FormulaC15H16N2O3
Molecular Weight272.30 g/mol
Exact Mass272.12
IUPAC Name1-[2-methoxy-5-(3-nitrophenyl)phenyl]-N-methylmethanamine
SMILESCNCc1cc(-c2cccc([N+](=O)[O-])c2)ccc1OC
InChIInChI=1S/C15H16N2O3/c1-16-10-13-8-12(6-7-15(13)20-2)11-4-3-5-14(9-11)17(18)19/h3-9,16H,10H2,1-2H3
InChIKeyCDZIWIGNCMJRNB-UHFFFAOYSA-N
XLogP2.99
TPSA64.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-methoxy-1-(2-methoxy-5-nitrophenyl)methanamine
CID 60702867
2-methoxy-4-nitro-1-(3-nitrophenyl)benzene
CID 91596770
1-[2-methoxy-5-(4-methylsulfonylphenyl)phenyl]-N-methylmethanamine
CID 56717548
N-[(2-methoxy-5-nitrophenyl)methyl]acetamide
CID 20650534
N-methyl-1-(3-nitrophenyl)methanamine;hydrochloride
CID 522947
N-[(2-methoxy-5-nitrophenyl)methyl]pentan-3-amine
CID 43082638
2-methoxy-N-[(2-methoxy-5-nitrophenyl)methyl]ethanamine
CID 43082616
4-[[(2-methoxy-5-nitrophenyl)methylamino]methyl]phenol
CID 114331736
1-(2-methoxy-5-nitrophenyl)-N-(2-methylpropoxy)methanamine
CID 82714383
N-[(2-methoxy-5-nitrophenyl)methyl]-3,5-dimethylaniline
CID 43212565
2,2,2-trifluoro-N-[(2-methoxy-5-nitrophenyl)methyl]ethanamine
CID 43082654
[4,5-dimethoxy-2-(3-nitrophenyl)phenyl]methanamine
CID 61385627

Frequently Asked Questions

What is the IUPAC name of 1-[2-methoxy-5-(3-nitrophenyl)phenyl]-N-methylmethanamine?
The IUPAC name of 1-[2-methoxy-5-(3-nitrophenyl)phenyl]-N-methylmethanamine (CID 61385585) is 1-[2-methoxy-5-(3-nitrophenyl)phenyl]-N-methylmethanamine.
What is the SMILES notation for 1-[2-methoxy-5-(3-nitrophenyl)phenyl]-N-methylmethanamine?
The canonical SMILES for 1-[2-methoxy-5-(3-nitrophenyl)phenyl]-N-methylmethanamine is CNCc1cc(-c2cccc([N+](=O)[O-])c2)ccc1OC.
What is the InChIKey of 1-[2-methoxy-5-(3-nitrophenyl)phenyl]-N-methylmethanamine?
The InChIKey is CDZIWIGNCMJRNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O3/c1-16-10-13-8-12(6-7-15(13)20-2)11-4-3-5-14(9-11)17(18)19/h3-9,16H,10H2,1-2H3.
What are the key properties of 1-[2-methoxy-5-(3-nitrophenyl)phenyl]-N-methylmethanamine?
1-[2-methoxy-5-(3-nitrophenyl)phenyl]-N-methylmethanamine has a molecular weight of 272.30 g/mol, XLogP of 2.99, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-methoxy-5-(3-nitrophenyl)phenyl]-N-methylmethanamine is sourced from PubChem (CID 61385585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).