2-fluoro-N-[(2-methyl-3-nitrophenyl)methyl]aniline

C14H13FN2O2 — CID 43509006

IUPAC2-fluoro-N-[(2-methyl-3-nitrophenyl)methyl]aniline
SMILESCc1c(CNc2ccccc2F)cccc1[N+](=O)[O-]
InChIInChI=1S/C14H13FN2O2/c1-10-11(5-4-8-14(10)17(18)19)9-16-13-7-3-2-6-12(13)15/h2-8,16H,9H2,1H3
InChIKeyBCLQYYIGRZIDEQ-UHFFFAOYSA-N
MW260.27 g/mol
LogP3.65
Rot. Bonds4

About 2-fluoro-N-[(2-methyl-3-nitrophenyl)methyl]aniline

2-fluoro-N-[(2-methyl-3-nitrophenyl)methyl]aniline (PubChem CID 43509006) has the molecular formula C14H13FN2O2 and a molecular weight of 260.27 g/mol. Its IUPAC name is 2-fluoro-N-[(2-methyl-3-nitrophenyl)methyl]aniline.

Molecular Properties

Compound Name2-fluoro-N-[(2-methyl-3-nitrophenyl)methyl]aniline
PubChem CID43509006
Molecular FormulaC14H13FN2O2
Molecular Weight260.27 g/mol
Exact Mass260.10
IUPAC Name2-fluoro-N-[(2-methyl-3-nitrophenyl)methyl]aniline
SMILESCc1c(CNc2ccccc2F)cccc1[N+](=O)[O-]
InChIInChI=1S/C14H13FN2O2/c1-10-11(5-4-8-14(10)17(18)19)9-16-13-7-3-2-6-12(13)15/h2-8,16H,9H2,1H3
InChIKeyBCLQYYIGRZIDEQ-UHFFFAOYSA-N
XLogP3.65
TPSA55.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.27
LogP ≤ 53.65
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-fluoro-N-[(2-fluoro-3-nitrophenyl)methyl]aniline
CID 107348870
5-chloro-2-fluoro-N-[(2-methyl-3-nitrophenyl)methyl]aniline
CID 43509081
4-fluoro-2-methyl-N-[(2-methyl-3-nitrophenyl)methyl]aniline
CID 43509021
N-[(2-methyl-3-nitrophenyl)methyl]-3-nitropyridin-4-amine
CID 103112027
N-methyl-1-(2-methyl-3-nitrophenyl)methanamine
CID 43508926
3-chloro-N-[(2-fluoro-3-nitrophenyl)methyl]-2-methylaniline
CID 107348828
2-fluoro-N-[(2-fluoro-3-nitrophenyl)methyl]-5-methylaniline
CID 107348912
3-bromo-N-[(2-fluoro-3-nitrophenyl)methyl]-2-methylaniline
CID 107633811
N-[[2-(difluoromethoxy)phenyl]methyl]-2-methyl-3-nitroaniline
CID 78883004
3,5-dimethyl-N-[(2-methyl-3-nitrophenyl)methyl]aniline
CID 43509012
N-[(4-bromo-2-nitrophenyl)methyl]-2-fluoroaniline
CID 114381000
4-methoxy-2-methyl-N-[(2-methyl-3-nitrophenyl)methyl]aniline
CID 62872795

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[(2-methyl-3-nitrophenyl)methyl]aniline?
The IUPAC name of 2-fluoro-N-[(2-methyl-3-nitrophenyl)methyl]aniline (CID 43509006) is 2-fluoro-N-[(2-methyl-3-nitrophenyl)methyl]aniline.
What is the SMILES notation for 2-fluoro-N-[(2-methyl-3-nitrophenyl)methyl]aniline?
The canonical SMILES for 2-fluoro-N-[(2-methyl-3-nitrophenyl)methyl]aniline is Cc1c(CNc2ccccc2F)cccc1[N+](=O)[O-].
What is the InChIKey of 2-fluoro-N-[(2-methyl-3-nitrophenyl)methyl]aniline?
The InChIKey is BCLQYYIGRZIDEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FN2O2/c1-10-11(5-4-8-14(10)17(18)19)9-16-13-7-3-2-6-12(13)15/h2-8,16H,9H2,1H3.
What are the key properties of 2-fluoro-N-[(2-methyl-3-nitrophenyl)methyl]aniline?
2-fluoro-N-[(2-methyl-3-nitrophenyl)methyl]aniline has a molecular weight of 260.27 g/mol, XLogP of 3.65, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[(2-methyl-3-nitrophenyl)methyl]aniline is sourced from PubChem (CID 43509006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).