N-methyl-4-[(2-nitrophenyl)methoxy]aniline

C14H14N2O3 — CID 61027197

IUPACN-methyl-4-[(2-nitrophenyl)methoxy]aniline
SMILESCNc1ccc(OCc2ccccc2[N+](=O)[O-])cc1
InChIInChI=1S/C14H14N2O3/c1-15-12-6-8-13(9-7-12)19-10-11-4-2-3-5-14(11)16(17)18/h2-9,15H,10H2,1H3
InChIKeyKHAOMKQPPZCUMF-UHFFFAOYSA-N
MW258.28 g/mol
LogP3.22
Rot. Bonds5

About N-methyl-4-[(2-nitrophenyl)methoxy]aniline

N-methyl-4-[(2-nitrophenyl)methoxy]aniline (PubChem CID 61027197) has the molecular formula C14H14N2O3 and a molecular weight of 258.28 g/mol. Its IUPAC name is N-methyl-4-[(2-nitrophenyl)methoxy]aniline.

Molecular Properties

Compound NameN-methyl-4-[(2-nitrophenyl)methoxy]aniline
PubChem CID61027197
Molecular FormulaC14H14N2O3
Molecular Weight258.28 g/mol
Exact Mass258.10
IUPAC NameN-methyl-4-[(2-nitrophenyl)methoxy]aniline
SMILESCNc1ccc(OCc2ccccc2[N+](=O)[O-])cc1
InChIInChI=1S/C14H14N2O3/c1-15-12-6-8-13(9-7-12)19-10-11-4-2-3-5-14(11)16(17)18/h2-9,15H,10H2,1H3
InChIKeyKHAOMKQPPZCUMF-UHFFFAOYSA-N
XLogP3.22
TPSA64.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.28
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

methyl 4-[(2-nitrophenyl)methoxy]benzoate
CID 26218557
4-[(2-nitrophenyl)methoxy]benzonitrile
CID 24702711
1,3-dimethyl-5-[(2-nitrophenyl)methoxy]benzene
CID 60627121
(NE)-N-[1-[4-[(2-nitrophenyl)methoxy]phenyl]propylidene]hydroxylamine
CID 43822637
N-methyl-1-[3-[(2-nitrophenyl)methoxy]phenyl]ethanamine
CID 60881202
[2-nitro-6-(phenoxymethyl)phenyl]hydrazine
CID 107353309
1-chloro-2-fluoro-4-[(2-nitrophenyl)methoxy]benzene
CID 82727180
N-methyl-2-[(3-methylphenoxy)methyl]-6-nitroaniline
CID 107352140
1,2,3-tris[(2-nitrophenyl)methoxy]benzene
CID 139940652
O-[(2-nitrophenyl)methyl]hydroxylamine
CID 2763494
2-[(4-fluoro-3-methylphenoxy)methyl]-N-methyl-6-nitroaniline
CID 107352446
(1S)-1-[3-[(2-nitrophenyl)methoxy]phenyl]ethanamine
CID 63367375

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-[(2-nitrophenyl)methoxy]aniline?
The IUPAC name of N-methyl-4-[(2-nitrophenyl)methoxy]aniline (CID 61027197) is N-methyl-4-[(2-nitrophenyl)methoxy]aniline.
What is the SMILES notation for N-methyl-4-[(2-nitrophenyl)methoxy]aniline?
The canonical SMILES for N-methyl-4-[(2-nitrophenyl)methoxy]aniline is CNc1ccc(OCc2ccccc2[N+](=O)[O-])cc1.
What is the InChIKey of N-methyl-4-[(2-nitrophenyl)methoxy]aniline?
The InChIKey is KHAOMKQPPZCUMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O3/c1-15-12-6-8-13(9-7-12)19-10-11-4-2-3-5-14(11)16(17)18/h2-9,15H,10H2,1H3.
What are the key properties of N-methyl-4-[(2-nitrophenyl)methoxy]aniline?
N-methyl-4-[(2-nitrophenyl)methoxy]aniline has a molecular weight of 258.28 g/mol, XLogP of 3.22, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-[(2-nitrophenyl)methoxy]aniline is sourced from PubChem (CID 61027197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).