N-[(2-fluoro-3-nitrophenyl)methyl]-3-methoxy-N-methylaniline

C15H15FN2O3 — CID 107348273

IUPACN-[(2-fluoro-3-nitrophenyl)methyl]-3-methoxy-N-methylaniline
SMILESCOc1cccc(N(C)Cc2cccc([N+](=O)[O-])c2F)c1
InChIInChI=1S/C15H15FN2O3/c1-17(12-6-4-7-13(9-12)21-2)10-11-5-3-8-14(15(11)16)18(19)20/h3-9H,10H2,1-2H3
InChIKeyOGXGUVBQCPRVTM-UHFFFAOYSA-N
MW290.29 g/mol
LogP3.38
Rot. Bonds5

About N-[(2-fluoro-3-nitrophenyl)methyl]-3-methoxy-N-methylaniline

N-[(2-fluoro-3-nitrophenyl)methyl]-3-methoxy-N-methylaniline (PubChem CID 107348273) has the molecular formula C15H15FN2O3 and a molecular weight of 290.29 g/mol. Its IUPAC name is N-[(2-fluoro-3-nitrophenyl)methyl]-3-methoxy-N-methylaniline.

Molecular Properties

Compound NameN-[(2-fluoro-3-nitrophenyl)methyl]-3-methoxy-N-methylaniline
PubChem CID107348273
Molecular FormulaC15H15FN2O3
Molecular Weight290.29 g/mol
Exact Mass290.11
IUPAC NameN-[(2-fluoro-3-nitrophenyl)methyl]-3-methoxy-N-methylaniline
SMILESCOc1cccc(N(C)Cc2cccc([N+](=O)[O-])c2F)c1
InChIInChI=1S/C15H15FN2O3/c1-17(12-6-4-7-13(9-12)21-2)10-11-5-3-8-14(15(11)16)18(19)20/h3-9H,10H2,1-2H3
InChIKeyOGXGUVBQCPRVTM-UHFFFAOYSA-N
XLogP3.38
TPSA55.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.29
LogP ≤ 53.38
H-Bond Donors ≤ 50
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-[(4-bromo-3-nitrophenyl)methyl]-3-methoxy-N-methylaniline
CID 115557735
N-[(2-fluoro-3-nitrophenyl)methyl]-N,2,4-trimethylaniline
CID 107348277
N-ethyl-N-[(2-fluoro-3-nitrophenyl)methyl]ethanamine
CID 70295850
methyl 2-[(2-fluoro-3-nitrophenyl)methyl-methylamino]acetate
CID 107350578
3-fluoro-N-[(2-hydrazinyl-3-nitrophenyl)methyl]-N-methylaniline
CID 107352931
N-[(2-fluoro-3-nitrophenyl)methyl]-N,2,2-trimethylpropan-1-amine
CID 107348267
N-ethyl-2-[(N-methylanilino)methyl]-6-nitroaniline
CID 107350686
N-[(2-fluoro-3-nitrophenyl)methyl]-1-(4-methoxyphenyl)methanamine
CID 107348841
methyl 4-[(2-fluoro-3-nitrophenyl)methyl-methylamino]butanoate
CID 107350585
3-methoxy-N-[(2-nitrophenyl)methyl]aniline
CID 28585602
2-fluoro-1-[(3-methylphenoxy)methyl]-3-nitrobenzene
CID 107348619
1-(4-bromophenyl)-N-[(2-fluoro-3-nitrophenyl)methyl]-N-methylmethanamine
CID 107348163

Frequently Asked Questions

What is the IUPAC name of N-[(2-fluoro-3-nitrophenyl)methyl]-3-methoxy-N-methylaniline?
The IUPAC name of N-[(2-fluoro-3-nitrophenyl)methyl]-3-methoxy-N-methylaniline (CID 107348273) is N-[(2-fluoro-3-nitrophenyl)methyl]-3-methoxy-N-methylaniline.
What is the SMILES notation for N-[(2-fluoro-3-nitrophenyl)methyl]-3-methoxy-N-methylaniline?
The canonical SMILES for N-[(2-fluoro-3-nitrophenyl)methyl]-3-methoxy-N-methylaniline is COc1cccc(N(C)Cc2cccc([N+](=O)[O-])c2F)c1.
What is the InChIKey of N-[(2-fluoro-3-nitrophenyl)methyl]-3-methoxy-N-methylaniline?
The InChIKey is OGXGUVBQCPRVTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN2O3/c1-17(12-6-4-7-13(9-12)21-2)10-11-5-3-8-14(15(11)16)18(19)20/h3-9H,10H2,1-2H3.
What are the key properties of N-[(2-fluoro-3-nitrophenyl)methyl]-3-methoxy-N-methylaniline?
N-[(2-fluoro-3-nitrophenyl)methyl]-3-methoxy-N-methylaniline has a molecular weight of 290.29 g/mol, XLogP of 3.38, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-fluoro-3-nitrophenyl)methyl]-3-methoxy-N-methylaniline is sourced from PubChem (CID 107348273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).