N-[(5-fluoro-2-nitrophenyl)methyl]-1-(4-methoxyphenyl)methanamine

C15H15FN2O3 — CID 43443534

IUPACN-[(5-fluoro-2-nitrophenyl)methyl]-1-(4-methoxyphenyl)methanamine
SMILESCOc1ccc(CNCc2cc(F)ccc2[N+](=O)[O-])cc1
InChIInChI=1S/C15H15FN2O3/c1-21-14-5-2-11(3-6-14)9-17-10-12-8-13(16)4-7-15(12)18(19)20/h2-8,17H,9-10H2,1H3
InChIKeyGJTYXLTWRLDQOH-UHFFFAOYSA-N
MW290.29 g/mol
LogP3.03
Rot. Bonds6

About N-[(5-fluoro-2-nitrophenyl)methyl]-1-(4-methoxyphenyl)methanamine

N-[(5-fluoro-2-nitrophenyl)methyl]-1-(4-methoxyphenyl)methanamine (PubChem CID 43443534) has the molecular formula C15H15FN2O3 and a molecular weight of 290.29 g/mol. Its IUPAC name is N-[(5-fluoro-2-nitrophenyl)methyl]-1-(4-methoxyphenyl)methanamine.

Molecular Properties

Compound NameN-[(5-fluoro-2-nitrophenyl)methyl]-1-(4-methoxyphenyl)methanamine
PubChem CID43443534
Molecular FormulaC15H15FN2O3
Molecular Weight290.29 g/mol
Exact Mass290.11
IUPAC NameN-[(5-fluoro-2-nitrophenyl)methyl]-1-(4-methoxyphenyl)methanamine
SMILESCOc1ccc(CNCc2cc(F)ccc2[N+](=O)[O-])cc1
InChIInChI=1S/C15H15FN2O3/c1-21-14-5-2-11(3-6-14)9-17-10-12-8-13(16)4-7-15(12)18(19)20/h2-8,17H,9-10H2,1H3
InChIKeyGJTYXLTWRLDQOH-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-phenylmethanamine
CID 43443505
N-[(5-fluoro-2-nitrophenyl)methyl]-1-(2-methoxy-4-pyridinyl)methanamine
CID 62990430
N-[(2-fluoro-3-nitrophenyl)methyl]-1-(4-methoxyphenyl)methanamine
CID 107348841
N-[(5-fluoro-2-nitrophenyl)methyl]-1-(3-fluorophenyl)methanamine
CID 43443606
N-[(2,5-difluorophenyl)methyl]-1-(5-fluoro-2-nitrophenyl)methanamine
CID 63796050
N-[(5-fluoro-2-nitrophenyl)methyl]ethanamine
CID 43443488
N-[(3-fluoro-5-nitrophenyl)methyl]-1-(4-methoxyphenyl)methanamine
CID 115980254
N-[(4-bromo-2-nitrophenyl)methyl]-1-(4-methoxyphenyl)methanamine
CID 114380972
1-[4-[(5-fluoro-2-nitrophenyl)methoxy]phenyl]-N-methylmethanamine
CID 60878936
N-[(5-fluoro-2-nitrophenyl)methyl]-1-thiophen-3-ylmethanamine
CID 63248080
N-[(5-fluoro-2-nitrophenyl)methyl]-2-methylpropan-1-amine
CID 43443500
N-[(4-bromo-3-nitrophenyl)methyl]-1-(4-methoxyphenyl)methanamine
CID 43222843

Frequently Asked Questions

What is the IUPAC name of N-[(5-fluoro-2-nitrophenyl)methyl]-1-(4-methoxyphenyl)methanamine?
The IUPAC name of N-[(5-fluoro-2-nitrophenyl)methyl]-1-(4-methoxyphenyl)methanamine (CID 43443534) is N-[(5-fluoro-2-nitrophenyl)methyl]-1-(4-methoxyphenyl)methanamine.
What is the SMILES notation for N-[(5-fluoro-2-nitrophenyl)methyl]-1-(4-methoxyphenyl)methanamine?
The canonical SMILES for N-[(5-fluoro-2-nitrophenyl)methyl]-1-(4-methoxyphenyl)methanamine is COc1ccc(CNCc2cc(F)ccc2[N+](=O)[O-])cc1.
What is the InChIKey of N-[(5-fluoro-2-nitrophenyl)methyl]-1-(4-methoxyphenyl)methanamine?
The InChIKey is GJTYXLTWRLDQOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN2O3/c1-21-14-5-2-11(3-6-14)9-17-10-12-8-13(16)4-7-15(12)18(19)20/h2-8,17H,9-10H2,1H3.
What are the key properties of N-[(5-fluoro-2-nitrophenyl)methyl]-1-(4-methoxyphenyl)methanamine?
N-[(5-fluoro-2-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-[(5-fluoro-2-nitrophenyl)methyl]-1-(4-methoxyphenyl)methanamine is sourced from PubChem (CID 43443534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).