N-[(2-fluoro-3-nitrophenyl)methyl]-1-(4-methoxyphenyl)methanamine

C15H15FN2O3 — CID 107348841

IUPACN-[(2-fluoro-3-nitrophenyl)methyl]-1-(4-methoxyphenyl)methanamine
SMILESCOc1ccc(CNCc2cccc([N+](=O)[O-])c2F)cc1
InChIInChI=1S/C15H15FN2O3/c1-21-13-7-5-11(6-8-13)9-17-10-12-3-2-4-14(15(12)16)18(19)20/h2-8,17H,9-10H2,1H3
InChIKeyRHARTCYYHJYYNH-UHFFFAOYSA-N
MW290.29 g/mol
LogP3.03
Rot. Bonds6

About N-[(2-fluoro-3-nitrophenyl)methyl]-1-(4-methoxyphenyl)methanamine

N-[(2-fluoro-3-nitrophenyl)methyl]-1-(4-methoxyphenyl)methanamine (PubChem CID 107348841) has the molecular formula C15H15FN2O3 and a molecular weight of 290.29 g/mol. Its IUPAC name is N-[(2-fluoro-3-nitrophenyl)methyl]-1-(4-methoxyphenyl)methanamine.

Molecular Properties

Compound NameN-[(2-fluoro-3-nitrophenyl)methyl]-1-(4-methoxyphenyl)methanamine
PubChem CID107348841
Molecular FormulaC15H15FN2O3
Molecular Weight290.29 g/mol
Exact Mass290.11
IUPAC NameN-[(2-fluoro-3-nitrophenyl)methyl]-1-(4-methoxyphenyl)methanamine
SMILESCOc1ccc(CNCc2cccc([N+](=O)[O-])c2F)cc1
InChIInChI=1S/C15H15FN2O3/c1-21-13-7-5-11(6-8-13)9-17-10-12-3-2-4-14(15(12)16)18(19)20/h2-8,17H,9-10H2,1H3
InChIKeyRHARTCYYHJYYNH-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-[(2-fluoro-3-nitrophenyl)methyl]-1-(4-methylphenyl)methanamine
CID 107348887
N-[(5-fluoro-2-nitrophenyl)methyl]-1-(4-methoxyphenyl)methanamine
CID 43443534
N-[(4-bromo-2-nitrophenyl)methyl]-1-(4-methoxyphenyl)methanamine
CID 114380972
1-(3-methoxyphenyl)-N-[(2-nitrophenyl)methyl]methanamine
CID 60663527
N-[(2-fluoro-3-nitrophenyl)methyl]-1-(furan-3-yl)methanamine
CID 107349474
N-[(2-fluoro-3-nitrophenyl)methyl]-3-methoxy-2-methylpropan-1-amine
CID 107349107
N-[(4-methoxyphenyl)methyl]-2-(2-nitrophenyl)acetamide
CID 743835
3-bromo-N-[(2-fluoro-3-nitrophenyl)methyl]-5-methoxyaniline
CID 107349380
N-[(3-fluoro-5-nitrophenyl)methyl]-1-(4-methoxyphenyl)methanamine
CID 115980254
N-[(4-bromo-3-nitrophenyl)methyl]-1-(4-methoxyphenyl)methanamine
CID 43222843
1-[(2-fluoro-3-nitrophenyl)methylamino]-2-methylpropan-2-ol
CID 107349234
N-[(2,3-difluorophenyl)methyl]-1-(4-nitrophenyl)methanamine
CID 60874828

Frequently Asked Questions

What is the IUPAC name of N-[(2-fluoro-3-nitrophenyl)methyl]-1-(4-methoxyphenyl)methanamine?
The IUPAC name of N-[(2-fluoro-3-nitrophenyl)methyl]-1-(4-methoxyphenyl)methanamine (CID 107348841) is N-[(2-fluoro-3-nitrophenyl)methyl]-1-(4-methoxyphenyl)methanamine.
What is the SMILES notation for N-[(2-fluoro-3-nitrophenyl)methyl]-1-(4-methoxyphenyl)methanamine?
The canonical SMILES for N-[(2-fluoro-3-nitrophenyl)methyl]-1-(4-methoxyphenyl)methanamine is COc1ccc(CNCc2cccc([N+](=O)[O-])c2F)cc1.
What is the InChIKey of N-[(2-fluoro-3-nitrophenyl)methyl]-1-(4-methoxyphenyl)methanamine?
The InChIKey is RHARTCYYHJYYNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN2O3/c1-21-13-7-5-11(6-8-13)9-17-10-12-3-2-4-14(15(12)16)18(19)20/h2-8,17H,9-10H2,1H3.
What are the key properties of N-[(2-fluoro-3-nitrophenyl)methyl]-1-(4-methoxyphenyl)methanamine?
N-[(2-fluoro-3-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-[(2-fluoro-3-nitrophenyl)methyl]-1-(4-methoxyphenyl)methanamine is sourced from PubChem (CID 107348841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).