(2-fluorophenyl)-(3-methyl-5-nitrophenyl)methanamine

C14H13FN2O2 — CID 43825498

IUPAC(2-fluorophenyl)-(3-methyl-5-nitrophenyl)methanamine
SMILESCc1cc(C(N)c2ccccc2F)cc([N+](=O)[O-])c1
InChIInChI=1S/C14H13FN2O2/c1-9-6-10(8-11(7-9)17(18)19)14(16)12-4-2-3-5-13(12)15/h2-8,14H,16H2,1H3
InChIKeyPQOXOQPIQLZZOZ-UHFFFAOYSA-N
MW260.27 g/mol
LogP3.09
Rot. Bonds3

About (2-fluorophenyl)-(3-methyl-5-nitrophenyl)methanamine

(2-fluorophenyl)-(3-methyl-5-nitrophenyl)methanamine (PubChem CID 43825498) has the molecular formula C14H13FN2O2 and a molecular weight of 260.27 g/mol. Its IUPAC name is (2-fluorophenyl)-(3-methyl-5-nitrophenyl)methanamine.

Molecular Properties

Compound Name(2-fluorophenyl)-(3-methyl-5-nitrophenyl)methanamine
PubChem CID43825498
Molecular FormulaC14H13FN2O2
Molecular Weight260.27 g/mol
Exact Mass260.10
IUPAC Name(2-fluorophenyl)-(3-methyl-5-nitrophenyl)methanamine
SMILESCc1cc(C(N)c2ccccc2F)cc([N+](=O)[O-])c1
InChIInChI=1S/C14H13FN2O2/c1-9-6-10(8-11(7-9)17(18)19)14(16)12-4-2-3-5-13(12)15/h2-8,14H,16H2,1H3
InChIKeyPQOXOQPIQLZZOZ-UHFFFAOYSA-N
XLogP3.09
TPSA69.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.27
LogP ≤ 53.09
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

(2-methoxyphenyl)-(3-methyl-5-nitrophenyl)methanamine
CID 43825492
(3,4-difluorophenyl)-(3-methyl-5-nitrophenyl)methanamine
CID 43825521
(3-fluorophenyl)-(3-methyl-5-nitrophenyl)methanamine
CID 43825493
N-[1-(2-fluorophenyl)ethyl]-3-methyl-5-nitroaniline
CID 115981308
2-methyl-1-(3-methyl-5-nitrophenyl)-2-phenylpropan-1-amine
CID 43825519
(2,6-difluorophenyl)-(2,3-dimethyl-5-nitrophenyl)methanamine
CID 43825087
2,6-difluoro-N-[1-(2-fluorophenyl)ethyl]-4-nitroaniline
CID 103828365
(2,6-difluorophenyl)-(2-methyl-5-nitrophenyl)methanamine
CID 43825297
(2,4-difluorophenyl)-(3,5-dimethylphenyl)methanamine
CID 43197780
N'-(3-methyl-5-nitrophenyl)-1-phenylpropane-1,3-diamine
CID 115981556
1-(2-fluorophenyl)-2-(4-nitrophenyl)ethanamine
CID 61079237
(2,6-difluorophenyl)-(3,5-dimethylphenyl)methanamine
CID 79522334

Frequently Asked Questions

What is the IUPAC name of (2-fluorophenyl)-(3-methyl-5-nitrophenyl)methanamine?
The IUPAC name of (2-fluorophenyl)-(3-methyl-5-nitrophenyl)methanamine (CID 43825498) is (2-fluorophenyl)-(3-methyl-5-nitrophenyl)methanamine.
What is the SMILES notation for (2-fluorophenyl)-(3-methyl-5-nitrophenyl)methanamine?
The canonical SMILES for (2-fluorophenyl)-(3-methyl-5-nitrophenyl)methanamine is Cc1cc(C(N)c2ccccc2F)cc([N+](=O)[O-])c1.
What is the InChIKey of (2-fluorophenyl)-(3-methyl-5-nitrophenyl)methanamine?
The InChIKey is PQOXOQPIQLZZOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FN2O2/c1-9-6-10(8-11(7-9)17(18)19)14(16)12-4-2-3-5-13(12)15/h2-8,14H,16H2,1H3.
What are the key properties of (2-fluorophenyl)-(3-methyl-5-nitrophenyl)methanamine?
(2-fluorophenyl)-(3-methyl-5-nitrophenyl)methanamine has a molecular weight of 260.27 g/mol, XLogP of 3.09, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-fluorophenyl)-(3-methyl-5-nitrophenyl)methanamine is sourced from PubChem (CID 43825498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).