(2-nitro-5-phenoxyphenyl)methanamine

C13H12N2O3 — CID 141138055

IUPAC(2-nitro-5-phenoxyphenyl)methanamine
SMILESNCc1cc(Oc2ccccc2)ccc1[N+](=O)[O-]
InChIInChI=1S/C13H12N2O3/c14-9-10-8-12(6-7-13(10)15(16)17)18-11-4-2-1-3-5-11/h1-8H,9,14H2
InChIKeyOTXJGHCPLDOWGI-UHFFFAOYSA-N
MW244.25 g/mol
LogP2.85
Rot. Bonds4

About (2-nitro-5-phenoxyphenyl)methanamine

(2-nitro-5-phenoxyphenyl)methanamine (PubChem CID 141138055) has the molecular formula C13H12N2O3 and a molecular weight of 244.25 g/mol. Its IUPAC name is (2-nitro-5-phenoxyphenyl)methanamine.

Molecular Properties

Compound Name(2-nitro-5-phenoxyphenyl)methanamine
PubChem CID141138055
Molecular FormulaC13H12N2O3
Molecular Weight244.25 g/mol
Exact Mass244.08
IUPAC Name(2-nitro-5-phenoxyphenyl)methanamine
SMILESNCc1cc(Oc2ccccc2)ccc1[N+](=O)[O-]
InChIInChI=1S/C13H12N2O3/c14-9-10-8-12(6-7-13(10)15(16)17)18-11-4-2-1-3-5-11/h1-8H,9,14H2
InChIKeyOTXJGHCPLDOWGI-UHFFFAOYSA-N
XLogP2.85
TPSA78.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.25
LogP ≤ 52.85
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

2-nitro-4-phenoxyphenol
CID 10775849
[2-nitro-5-(4-nitrophenoxy)phenyl]methanol
CID 106546897
2-(chloromethyl)-4-(3-methylphenoxy)-1-nitrobenzene
CID 114057920
[3-(3-chloro-4-nitrophenoxy)phenyl]methanamine
CID 63941348
1-(2-nitro-4-phenoxyphenyl)pyrrolidine
CID 168515577
2-chloro-N'-(2-nitro-4-phenoxyphenyl)ethanimidamide
CID 169369365
[4-bromo-2-(3-methyl-4-nitrophenoxy)phenyl]methanamine
CID 61030911
(2-ethoxy-5-phenoxyphenyl)methanamine
CID 82267172
3-(aminomethyl)-N-methyl-4-nitroaniline
CID 82503839
(2S)-2-amino-3-[5-(2-chlorophenoxy)-2-nitrophenyl]propanoic acid
CID 68781640
2-(chloromethyl)-1-nitro-4-phenylmethoxybenzene
CID 11832719
4-[4-(aminomethyl)phenoxy]-2-nitrobenzonitrile
CID 106485588

Frequently Asked Questions

What is the IUPAC name of (2-nitro-5-phenoxyphenyl)methanamine?
The IUPAC name of (2-nitro-5-phenoxyphenyl)methanamine (CID 141138055) is (2-nitro-5-phenoxyphenyl)methanamine.
What is the SMILES notation for (2-nitro-5-phenoxyphenyl)methanamine?
The canonical SMILES for (2-nitro-5-phenoxyphenyl)methanamine is NCc1cc(Oc2ccccc2)ccc1[N+](=O)[O-].
What is the InChIKey of (2-nitro-5-phenoxyphenyl)methanamine?
The InChIKey is OTXJGHCPLDOWGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O3/c14-9-10-8-12(6-7-13(10)15(16)17)18-11-4-2-1-3-5-11/h1-8H,9,14H2.
What are the key properties of (2-nitro-5-phenoxyphenyl)methanamine?
(2-nitro-5-phenoxyphenyl)methanamine has a molecular weight of 244.25 g/mol, XLogP of 2.85, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-nitro-5-phenoxyphenyl)methanamine is sourced from PubChem (CID 141138055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).