N-methyl-1-[3-[(2-nitrophenyl)methoxy]phenyl]ethanamine

C16H18N2O3 — CID 60881202

IUPACN-methyl-1-[3-[(2-nitrophenyl)methoxy]phenyl]ethanamine
SMILESCNC(C)c1cccc(OCc2ccccc2[N+](=O)[O-])c1
InChIInChI=1S/C16H18N2O3/c1-12(17-2)13-7-5-8-15(10-13)21-11-14-6-3-4-9-16(14)18(19)20/h3-10,12,17H,11H2,1-2H3
InChIKeyYHXJRAJVSPNOSW-UHFFFAOYSA-N
MW286.33 g/mol
LogP3.45
Rot. Bonds6

About N-methyl-1-[3-[(2-nitrophenyl)methoxy]phenyl]ethanamine

N-methyl-1-[3-[(2-nitrophenyl)methoxy]phenyl]ethanamine (PubChem CID 60881202) has the molecular formula C16H18N2O3 and a molecular weight of 286.33 g/mol. Its IUPAC name is N-methyl-1-[3-[(2-nitrophenyl)methoxy]phenyl]ethanamine.

Molecular Properties

Compound NameN-methyl-1-[3-[(2-nitrophenyl)methoxy]phenyl]ethanamine
PubChem CID60881202
Molecular FormulaC16H18N2O3
Molecular Weight286.33 g/mol
Exact Mass286.13
IUPAC NameN-methyl-1-[3-[(2-nitrophenyl)methoxy]phenyl]ethanamine
SMILESCNC(C)c1cccc(OCc2ccccc2[N+](=O)[O-])c1
InChIInChI=1S/C16H18N2O3/c1-12(17-2)13-7-5-8-15(10-13)21-11-14-6-3-4-9-16(14)18(19)20/h3-10,12,17H,11H2,1-2H3
InChIKeyYHXJRAJVSPNOSW-UHFFFAOYSA-N
XLogP3.45
TPSA64.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 53.45
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

(1S)-1-[3-[(2-nitrophenyl)methoxy]phenyl]ethanamine
CID 63367375
(1R)-1-[3-[(2-nitrophenyl)methoxy]phenyl]ethanamine
CID 78937008
N-methyl-4-[(2-nitrophenyl)methoxy]aniline
CID 61027197
1-[3-[(2,5-dimethylphenyl)methoxy]phenyl]-N-methylethanamine
CID 61482062
1,3-dimethyl-5-[(2-nitrophenyl)methoxy]benzene
CID 60627121
(1S)-1-[3-[(5-fluoro-2-nitrophenyl)methoxy]phenyl]ethanamine
CID 63367201
N-methyl-2-[(3-methylphenoxy)methyl]-6-nitroaniline
CID 107352140
N-methyl-1-[3-(3-phenoxypropoxy)phenyl]ethanamine
CID 62936434
3-[1-[(2-nitrophenyl)methylamino]ethyl]phenol
CID 43748437
1-[3-[(2,6-difluorophenyl)methoxy]phenyl]-N-methylethanamine
CID 114930058
1-[3-[(4-chlorophenyl)methoxy]phenyl]-N-methylethanamine
CID 60883450
N-methyl-1-(3-propoxyphenyl)ethanamine
CID 43279892

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[3-[(2-nitrophenyl)methoxy]phenyl]ethanamine?
The IUPAC name of N-methyl-1-[3-[(2-nitrophenyl)methoxy]phenyl]ethanamine (CID 60881202) is N-methyl-1-[3-[(2-nitrophenyl)methoxy]phenyl]ethanamine.
What is the SMILES notation for N-methyl-1-[3-[(2-nitrophenyl)methoxy]phenyl]ethanamine?
The canonical SMILES for N-methyl-1-[3-[(2-nitrophenyl)methoxy]phenyl]ethanamine is CNC(C)c1cccc(OCc2ccccc2[N+](=O)[O-])c1.
What is the InChIKey of N-methyl-1-[3-[(2-nitrophenyl)methoxy]phenyl]ethanamine?
The InChIKey is YHXJRAJVSPNOSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O3/c1-12(17-2)13-7-5-8-15(10-13)21-11-14-6-3-4-9-16(14)18(19)20/h3-10,12,17H,11H2,1-2H3.
What are the key properties of N-methyl-1-[3-[(2-nitrophenyl)methoxy]phenyl]ethanamine?
N-methyl-1-[3-[(2-nitrophenyl)methoxy]phenyl]ethanamine has a molecular weight of 286.33 g/mol, XLogP of 3.45, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[3-[(2-nitrophenyl)methoxy]phenyl]ethanamine is sourced from PubChem (CID 60881202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).