1-(2-fluoro-3-methylphenyl)-N-methyl-2-(2-nitrophenyl)ethanamine

C16H17FN2O2 — CID 81481100

IUPAC1-(2-fluoro-3-methylphenyl)-N-methyl-2-(2-nitrophenyl)ethanamine
SMILESCNC(Cc1ccccc1[N+](=O)[O-])c1cccc(C)c1F
InChIInChI=1S/C16H17FN2O2/c1-11-6-5-8-13(16(11)17)14(18-2)10-12-7-3-4-9-15(12)19(20)21/h3-9,14,18H,10H2,1-2H3
InChIKeyPMQCTEAFHKAEDQ-UHFFFAOYSA-N
MW288.32 g/mol
LogP3.55
Rot. Bonds5

About 1-(2-fluoro-3-methylphenyl)-N-methyl-2-(2-nitrophenyl)ethanamine

1-(2-fluoro-3-methylphenyl)-N-methyl-2-(2-nitrophenyl)ethanamine (PubChem CID 81481100) has the molecular formula C16H17FN2O2 and a molecular weight of 288.32 g/mol. Its IUPAC name is 1-(2-fluoro-3-methylphenyl)-N-methyl-2-(2-nitrophenyl)ethanamine.

Molecular Properties

Compound Name1-(2-fluoro-3-methylphenyl)-N-methyl-2-(2-nitrophenyl)ethanamine
PubChem CID81481100
Molecular FormulaC16H17FN2O2
Molecular Weight288.32 g/mol
Exact Mass288.13
IUPAC Name1-(2-fluoro-3-methylphenyl)-N-methyl-2-(2-nitrophenyl)ethanamine
SMILESCNC(Cc1ccccc1[N+](=O)[O-])c1cccc(C)c1F
InChIInChI=1S/C16H17FN2O2/c1-11-6-5-8-13(16(11)17)14(18-2)10-12-7-3-4-9-15(12)19(20)21/h3-9,14,18H,10H2,1-2H3
InChIKeyPMQCTEAFHKAEDQ-UHFFFAOYSA-N
XLogP3.55
TPSA55.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.32
LogP ≤ 53.55
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

1-(2-chlorophenyl)-N-methyl-2-(2-nitrophenyl)ethanamine
CID 12909659
1-(2,3-dichlorophenyl)-N-methyl-2-(2-nitrophenyl)ethanamine
CID 61080227
1-(2-bromo-5-fluorophenyl)-N-methyl-2-(2-nitrophenyl)ethanamine
CID 61080048
N-methyl-2-(2-nitrophenyl)-1-phenylethanamine;hydrochloride
CID 12915154
1-(2-chlorofuran-3-yl)-N-methyl-2-(2-nitrophenyl)ethanamine
CID 106687794
N-methyl-1-(4-methylsulfanylphenyl)-2-(2-nitrophenyl)ethanamine
CID 79213455
N-methyl-2-(2-nitrophenyl)-1-pyridin-4-ylethanamine
CID 61078233
1-(4-iodophenyl)-N-methyl-2-(2-nitrophenyl)ethanamine
CID 61078222
N-methyl-1-(5-nitrofuran-2-yl)-2-(2-nitrophenyl)ethanamine
CID 61078228
2-(2-fluorophenyl)-N-methyl-1-(2-methylphenyl)ethanamine
CID 55026735
1-(2-bromo-3-methylphenyl)-2-(2-nitrophenyl)ethanol
CID 107983827
1-[1-chloro-2-(2-nitrophenyl)ethyl]-2,3-difluorobenzene
CID 63017760

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoro-3-methylphenyl)-N-methyl-2-(2-nitrophenyl)ethanamine?
The IUPAC name of 1-(2-fluoro-3-methylphenyl)-N-methyl-2-(2-nitrophenyl)ethanamine (CID 81481100) is 1-(2-fluoro-3-methylphenyl)-N-methyl-2-(2-nitrophenyl)ethanamine.
What is the SMILES notation for 1-(2-fluoro-3-methylphenyl)-N-methyl-2-(2-nitrophenyl)ethanamine?
The canonical SMILES for 1-(2-fluoro-3-methylphenyl)-N-methyl-2-(2-nitrophenyl)ethanamine is CNC(Cc1ccccc1[N+](=O)[O-])c1cccc(C)c1F.
What is the InChIKey of 1-(2-fluoro-3-methylphenyl)-N-methyl-2-(2-nitrophenyl)ethanamine?
The InChIKey is PMQCTEAFHKAEDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN2O2/c1-11-6-5-8-13(16(11)17)14(18-2)10-12-7-3-4-9-15(12)19(20)21/h3-9,14,18H,10H2,1-2H3.
What are the key properties of 1-(2-fluoro-3-methylphenyl)-N-methyl-2-(2-nitrophenyl)ethanamine?
1-(2-fluoro-3-methylphenyl)-N-methyl-2-(2-nitrophenyl)ethanamine has a molecular weight of 288.32 g/mol, XLogP of 3.55, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoro-3-methylphenyl)-N-methyl-2-(2-nitrophenyl)ethanamine is sourced from PubChem (CID 81481100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).