N-[(3-fluoro-5-nitrophenyl)methyl]-1-(4-methoxyphenyl)methanamine

C15H15FN2O3 — CID 115980254

IUPACN-[(3-fluoro-5-nitrophenyl)methyl]-1-(4-methoxyphenyl)methanamine
SMILESCOc1ccc(CNCc2cc(F)cc([N+](=O)[O-])c2)cc1
InChIInChI=1S/C15H15FN2O3/c1-21-15-4-2-11(3-5-15)9-17-10-12-6-13(16)8-14(7-12)18(19)20/h2-8,17H,9-10H2,1H3
InChIKeyZSGJIMORQBVVDM-UHFFFAOYSA-N
MW290.29 g/mol
LogP3.03
Rot. Bonds6

About N-[(3-fluoro-5-nitrophenyl)methyl]-1-(4-methoxyphenyl)methanamine

N-[(3-fluoro-5-nitrophenyl)methyl]-1-(4-methoxyphenyl)methanamine (PubChem CID 115980254) has the molecular formula C15H15FN2O3 and a molecular weight of 290.29 g/mol. Its IUPAC name is N-[(3-fluoro-5-nitrophenyl)methyl]-1-(4-methoxyphenyl)methanamine.

Molecular Properties

Compound NameN-[(3-fluoro-5-nitrophenyl)methyl]-1-(4-methoxyphenyl)methanamine
PubChem CID115980254
Molecular FormulaC15H15FN2O3
Molecular Weight290.29 g/mol
Exact Mass290.11
IUPAC NameN-[(3-fluoro-5-nitrophenyl)methyl]-1-(4-methoxyphenyl)methanamine
SMILESCOc1ccc(CNCc2cc(F)cc([N+](=O)[O-])c2)cc1
InChIInChI=1S/C15H15FN2O3/c1-21-15-4-2-11(3-5-15)9-17-10-12-6-13(16)8-14(7-12)18(19)20/h2-8,17H,9-10H2,1H3
InChIKeyZSGJIMORQBVVDM-UHFFFAOYSA-N
XLogP3.03
TPSA64.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.29
LogP ≤ 53.03
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-[(5-fluoro-2-nitrophenyl)methyl]-1-(4-methoxyphenyl)methanamine
CID 43443534
N-[(3-methoxy-5-nitrophenyl)methyl]-1-pyridin-4-ylmethanamine
CID 81149981
N-[(3-fluoro-5-nitrophenyl)methyl]-2-methoxypropan-1-amine
CID 102698114
N-[(3-bromo-5-nitrophenyl)methyl]-1-(4-fluorophenyl)methanamine
CID 103350496
N-[(3-ethylthiophen-2-yl)methyl]-1-(3-fluoro-5-nitrophenyl)methanamine
CID 115980528
2-[(3-fluoro-5-nitrophenyl)methylamino]ethanol
CID 112646656
N-[(3-fluoro-5-nitrophenyl)methyl]-2-methylsulfanylethanamine
CID 112646763
3-methoxy-N-[(4-methoxyphenyl)methyl]-5-nitroaniline
CID 80530893
N-[(4-bromo-3-nitrophenyl)methyl]-1-(4-methoxyphenyl)methanamine
CID 43222843
2-[(3-fluoro-5-nitrophenyl)methylamino]-N-methylacetamide
CID 112646650
3-[(3-fluoro-5-nitrophenyl)methylamino]-2,2-dimethylpropan-1-ol
CID 112646829
N-[(2-fluoro-3-nitrophenyl)methyl]-1-(4-methoxyphenyl)methanamine
CID 107348841

Frequently Asked Questions

What is the IUPAC name of N-[(3-fluoro-5-nitrophenyl)methyl]-1-(4-methoxyphenyl)methanamine?
The IUPAC name of N-[(3-fluoro-5-nitrophenyl)methyl]-1-(4-methoxyphenyl)methanamine (CID 115980254) is N-[(3-fluoro-5-nitrophenyl)methyl]-1-(4-methoxyphenyl)methanamine.
What is the SMILES notation for N-[(3-fluoro-5-nitrophenyl)methyl]-1-(4-methoxyphenyl)methanamine?
The canonical SMILES for N-[(3-fluoro-5-nitrophenyl)methyl]-1-(4-methoxyphenyl)methanamine is COc1ccc(CNCc2cc(F)cc([N+](=O)[O-])c2)cc1.
What is the InChIKey of N-[(3-fluoro-5-nitrophenyl)methyl]-1-(4-methoxyphenyl)methanamine?
The InChIKey is ZSGJIMORQBVVDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN2O3/c1-21-15-4-2-11(3-5-15)9-17-10-12-6-13(16)8-14(7-12)18(19)20/h2-8,17H,9-10H2,1H3.
What are the key properties of N-[(3-fluoro-5-nitrophenyl)methyl]-1-(4-methoxyphenyl)methanamine?
N-[(3-fluoro-5-nitrophenyl)methyl]-1-(4-methoxyphenyl)methanamine has a molecular weight of 290.29 g/mol, XLogP of 3.03, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-fluoro-5-nitrophenyl)methyl]-1-(4-methoxyphenyl)methanamine is sourced from PubChem (CID 115980254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).