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

C15H15FN2O2 — CID 107348887

IUPACN-[(2-fluoro-3-nitrophenyl)methyl]-1-(4-methylphenyl)methanamine
SMILESCc1ccc(CNCc2cccc([N+](=O)[O-])c2F)cc1
InChIInChI=1S/C15H15FN2O2/c1-11-5-7-12(8-6-11)9-17-10-13-3-2-4-14(15(13)16)18(19)20/h2-8,17H,9-10H2,1H3
InChIKeyIYQHLSCQEOYYKS-UHFFFAOYSA-N
MW274.30 g/mol
LogP3.33
Rot. Bonds5

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

N-[(2-fluoro-3-nitrophenyl)methyl]-1-(4-methylphenyl)methanamine (PubChem CID 107348887) has the molecular formula C15H15FN2O2 and a molecular weight of 274.30 g/mol. Its IUPAC name is N-[(2-fluoro-3-nitrophenyl)methyl]-1-(4-methylphenyl)methanamine.

Molecular Properties

Compound NameN-[(2-fluoro-3-nitrophenyl)methyl]-1-(4-methylphenyl)methanamine
PubChem CID107348887
Molecular FormulaC15H15FN2O2
Molecular Weight274.30 g/mol
Exact Mass274.11
IUPAC NameN-[(2-fluoro-3-nitrophenyl)methyl]-1-(4-methylphenyl)methanamine
SMILESCc1ccc(CNCc2cccc([N+](=O)[O-])c2F)cc1
InChIInChI=1S/C15H15FN2O2/c1-11-5-7-12(8-6-11)9-17-10-13-3-2-4-14(15(13)16)18(19)20/h2-8,17H,9-10H2,1H3
InChIKeyIYQHLSCQEOYYKS-UHFFFAOYSA-N
XLogP3.33
TPSA55.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.30
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-[(2-fluoro-3-nitrophenyl)methyl]-1-(4-methylphenyl)methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(2-fluoro-3-nitrophenyl)methyl]-1-(4-methoxyphenyl)methanamine
CID 107348841
N-[(2-fluoro-3-nitrophenyl)methyl]-1-(furan-3-yl)methanamine
CID 107349474
N-[(2-chloro-6-nitrophenyl)methyl]-1-(4-methylphenyl)methanamine
CID 63746803
1-[(2-fluoro-3-nitrophenyl)methylamino]-2-methylpropan-2-ol
CID 107349234
2-fluoro-N-[(2-fluoro-3-nitrophenyl)methyl]-5-methylaniline
CID 107348912
2-[(2-fluoro-3-nitrophenyl)methylamino]acetic acid
CID 107350087
N-[(2,3-difluorophenyl)methyl]-1-(4-nitrophenyl)methanamine
CID 60874828
N-[(2-fluoro-3-nitrophenyl)methyl]-1-(2,2,3,3-tetramethylcyclopropyl)methanamine
CID 107349277
N-[2-[(2-fluoro-3-nitrophenyl)methylamino]ethyl]methanesulfonamide
CID 107348955
1-(3-fluorophenyl)-N-[(2-methyl-3-nitrophenyl)methyl]methanamine
CID 43509052
N-[(2-fluoro-3-methoxyphenyl)methyl]-1-(4-methylphenyl)methanamine
CID 104791514
2-ethylsulfinyl-N-[(2-fluoro-3-nitrophenyl)methyl]ethanamine
CID 107349466

Frequently Asked Questions

What is the IUPAC name of N-[(2-fluoro-3-nitrophenyl)methyl]-1-(4-methylphenyl)methanamine?
The IUPAC name of N-[(2-fluoro-3-nitrophenyl)methyl]-1-(4-methylphenyl)methanamine (CID 107348887) is N-[(2-fluoro-3-nitrophenyl)methyl]-1-(4-methylphenyl)methanamine.
What is the SMILES notation for N-[(2-fluoro-3-nitrophenyl)methyl]-1-(4-methylphenyl)methanamine?
The canonical SMILES for N-[(2-fluoro-3-nitrophenyl)methyl]-1-(4-methylphenyl)methanamine is Cc1ccc(CNCc2cccc([N+](=O)[O-])c2F)cc1.
What is the InChIKey of N-[(2-fluoro-3-nitrophenyl)methyl]-1-(4-methylphenyl)methanamine?
The InChIKey is IYQHLSCQEOYYKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN2O2/c1-11-5-7-12(8-6-11)9-17-10-13-3-2-4-14(15(13)16)18(19)20/h2-8,17H,9-10H2,1H3.
What are the key properties of N-[(2-fluoro-3-nitrophenyl)methyl]-1-(4-methylphenyl)methanamine?
N-[(2-fluoro-3-nitrophenyl)methyl]-1-(4-methylphenyl)methanamine has a molecular weight of 274.30 g/mol, XLogP of 3.33, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-fluoro-3-nitrophenyl)methyl]-1-(4-methylphenyl)methanamine is sourced from PubChem (CID 107348887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).