2-(2-fluorophenyl)-N-[(4-methyl-3-nitrophenyl)methyl]ethanamine

C16H17FN2O2 — CID 43224384

IUPAC2-(2-fluorophenyl)-N-[(4-methyl-3-nitrophenyl)methyl]ethanamine
SMILESCc1ccc(CNCCc2ccccc2F)cc1[N+](=O)[O-]
InChIInChI=1S/C16H17FN2O2/c1-12-6-7-13(10-16(12)19(20)21)11-18-9-8-14-4-2-3-5-15(14)17/h2-7,10,18H,8-9,11H2,1H3
InChIKeyJTYLPNMFRQJIFU-UHFFFAOYSA-N
MW288.32 g/mol
LogP3.37
Rot. Bonds6

About 2-(2-fluorophenyl)-N-[(4-methyl-3-nitrophenyl)methyl]ethanamine

2-(2-fluorophenyl)-N-[(4-methyl-3-nitrophenyl)methyl]ethanamine (PubChem CID 43224384) has the molecular formula C16H17FN2O2 and a molecular weight of 288.32 g/mol. Its IUPAC name is 2-(2-fluorophenyl)-N-[(4-methyl-3-nitrophenyl)methyl]ethanamine.

Molecular Properties

Compound Name2-(2-fluorophenyl)-N-[(4-methyl-3-nitrophenyl)methyl]ethanamine
PubChem CID43224384
Molecular FormulaC16H17FN2O2
Molecular Weight288.32 g/mol
Exact Mass288.13
IUPAC Name2-(2-fluorophenyl)-N-[(4-methyl-3-nitrophenyl)methyl]ethanamine
SMILESCc1ccc(CNCCc2ccccc2F)cc1[N+](=O)[O-]
InChIInChI=1S/C16H17FN2O2/c1-12-6-7-13(10-16(12)19(20)21)11-18-9-8-14-4-2-3-5-15(14)17/h2-7,10,18H,8-9,11H2,1H3
InChIKeyJTYLPNMFRQJIFU-UHFFFAOYSA-N
XLogP3.37
TPSA55.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.32
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(2-chlorophenyl)methyl]-1-(4-methyl-3-nitrophenyl)methanamine
CID 43222892
N-[(2-ethylphenyl)methyl]-1-(4-methyl-3-nitrophenyl)methanamine
CID 64680079
N-[(4-bromo-2-nitrophenyl)methyl]-2-(2-fluorophenyl)ethanamine
CID 114380977
3,3,3-trifluoro-N-[(4-methyl-3-nitrophenyl)methyl]propan-1-amine
CID 63226216
N'-[(4-methyl-3-nitrophenyl)methyl]butane-1,4-diamine
CID 60895806
N-[(2,5-difluorophenyl)methyl]-2-(2-nitrophenyl)ethanamine
CID 63793575
N-[(2-methylphenyl)methyl]-2-(2-nitrophenyl)ethanamine
CID 63063478
N-[(2-fluorophenyl)methyl]-1-(4-methyl-3-nitrophenyl)ethanamine
CID 43201422
5-[(4-methyl-3-nitrophenyl)methylamino]pentan-1-ol
CID 107303000
5-chloro-N-[2-(2-fluorophenyl)ethyl]-2-methyl-4-nitroaniline
CID 115555653
N-[(4-methyl-3-nitrophenyl)methyl]-1-pyridin-4-ylmethanamine
CID 43222729
2-[(4-methyl-3-nitrophenyl)methylamino]acetic acid
CID 43774185

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenyl)-N-[(4-methyl-3-nitrophenyl)methyl]ethanamine?
The IUPAC name of 2-(2-fluorophenyl)-N-[(4-methyl-3-nitrophenyl)methyl]ethanamine (CID 43224384) is 2-(2-fluorophenyl)-N-[(4-methyl-3-nitrophenyl)methyl]ethanamine.
What is the SMILES notation for 2-(2-fluorophenyl)-N-[(4-methyl-3-nitrophenyl)methyl]ethanamine?
The canonical SMILES for 2-(2-fluorophenyl)-N-[(4-methyl-3-nitrophenyl)methyl]ethanamine is Cc1ccc(CNCCc2ccccc2F)cc1[N+](=O)[O-].
What is the InChIKey of 2-(2-fluorophenyl)-N-[(4-methyl-3-nitrophenyl)methyl]ethanamine?
The InChIKey is JTYLPNMFRQJIFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN2O2/c1-12-6-7-13(10-16(12)19(20)21)11-18-9-8-14-4-2-3-5-15(14)17/h2-7,10,18H,8-9,11H2,1H3.
What are the key properties of 2-(2-fluorophenyl)-N-[(4-methyl-3-nitrophenyl)methyl]ethanamine?
2-(2-fluorophenyl)-N-[(4-methyl-3-nitrophenyl)methyl]ethanamine has a molecular weight of 288.32 g/mol, XLogP of 3.37, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenyl)-N-[(4-methyl-3-nitrophenyl)methyl]ethanamine is sourced from PubChem (CID 43224384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).