1-(3-fluorophenyl)-N-[(2-methyl-3-nitrophenyl)methyl]methanamine

C15H15FN2O2 — CID 43509052

IUPAC1-(3-fluorophenyl)-N-[(2-methyl-3-nitrophenyl)methyl]methanamine
SMILESCc1c(CNCc2cccc(F)c2)cccc1[N+](=O)[O-]
InChIInChI=1S/C15H15FN2O2/c1-11-13(5-3-7-15(11)18(19)20)10-17-9-12-4-2-6-14(16)8-12/h2-8,17H,9-10H2,1H3
InChIKeyCBWLOAMSOAOLBC-UHFFFAOYSA-N
MW274.30 g/mol
LogP3.33
Rot. Bonds5

About 1-(3-fluorophenyl)-N-[(2-methyl-3-nitrophenyl)methyl]methanamine

1-(3-fluorophenyl)-N-[(2-methyl-3-nitrophenyl)methyl]methanamine (PubChem CID 43509052) has the molecular formula C15H15FN2O2 and a molecular weight of 274.30 g/mol. Its IUPAC name is 1-(3-fluorophenyl)-N-[(2-methyl-3-nitrophenyl)methyl]methanamine.

Molecular Properties

Compound Name1-(3-fluorophenyl)-N-[(2-methyl-3-nitrophenyl)methyl]methanamine
PubChem CID43509052
Molecular FormulaC15H15FN2O2
Molecular Weight274.30 g/mol
Exact Mass274.11
IUPAC Name1-(3-fluorophenyl)-N-[(2-methyl-3-nitrophenyl)methyl]methanamine
SMILESCc1c(CNCc2cccc(F)c2)cccc1[N+](=O)[O-]
InChIInChI=1S/C15H15FN2O2/c1-11-13(5-3-7-15(11)18(19)20)10-17-9-12-4-2-6-14(16)8-12/h2-8,17H,9-10H2,1H3
InChIKeyCBWLOAMSOAOLBC-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'}

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Related Compounds

N-[(3-chloro-5-fluorophenyl)methyl]-1-(2-methyl-3-nitrophenyl)methanamine
CID 103114695
3-[[(2-methyl-3-nitrophenyl)methylamino]methyl]phenol
CID 103114699
1-(4-bromo-3-fluorophenyl)-N-[(2-methyl-3-nitrophenyl)methyl]methanamine
CID 103114744
N-[(5-fluoro-2-nitrophenyl)methyl]-1-(3-fluorophenyl)methanamine
CID 43443606
1-(4-bromo-3-methylphenyl)-N-[(2-methyl-3-nitrophenyl)methyl]methanamine
CID 103114587
N-[(2-methyl-3-nitrophenyl)methyl]ethanamine
CID 22170308
4-fluoro-2-methyl-N-[(2-methyl-3-nitrophenyl)methyl]aniline
CID 43509021
N-[(2,6-dichlorophenyl)methyl]-1-(2-methyl-3-nitrophenyl)methanamine
CID 103114558
N-[(3-fluorophenyl)methyl]-2-methyl-6-nitroaniline
CID 78918499
N-[(2-methyl-3-nitrophenyl)methyl]propan-1-amine
CID 43509035
1,1-difluoro-3-[(2-methyl-3-nitrophenyl)methylamino]propan-2-ol
CID 114093427
N-methyl-1-(2-methyl-3-nitrophenyl)methanamine
CID 43508926

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorophenyl)-N-[(2-methyl-3-nitrophenyl)methyl]methanamine?
The IUPAC name of 1-(3-fluorophenyl)-N-[(2-methyl-3-nitrophenyl)methyl]methanamine (CID 43509052) is 1-(3-fluorophenyl)-N-[(2-methyl-3-nitrophenyl)methyl]methanamine.
What is the SMILES notation for 1-(3-fluorophenyl)-N-[(2-methyl-3-nitrophenyl)methyl]methanamine?
The canonical SMILES for 1-(3-fluorophenyl)-N-[(2-methyl-3-nitrophenyl)methyl]methanamine is Cc1c(CNCc2cccc(F)c2)cccc1[N+](=O)[O-].
What is the InChIKey of 1-(3-fluorophenyl)-N-[(2-methyl-3-nitrophenyl)methyl]methanamine?
The InChIKey is CBWLOAMSOAOLBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN2O2/c1-11-13(5-3-7-15(11)18(19)20)10-17-9-12-4-2-6-14(16)8-12/h2-8,17H,9-10H2,1H3.
What are the key properties of 1-(3-fluorophenyl)-N-[(2-methyl-3-nitrophenyl)methyl]methanamine?
1-(3-fluorophenyl)-N-[(2-methyl-3-nitrophenyl)methyl]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 1-(3-fluorophenyl)-N-[(2-methyl-3-nitrophenyl)methyl]methanamine is sourced from PubChem (CID 43509052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).