1-[(2-fluoro-3-nitrophenyl)methyl]-2,3-dihydroinden-1-amine

C16H15FN2O2 — CID 107353722

IUPAC1-[(2-fluoro-3-nitrophenyl)methyl]-2,3-dihydroinden-1-amine
SMILESNC1(Cc2cccc([N+](=O)[O-])c2F)CCc2ccccc21
InChIInChI=1S/C16H15FN2O2/c17-15-12(5-3-7-14(15)19(20)21)10-16(18)9-8-11-4-1-2-6-13(11)16/h1-7H,8-10,18H2
InChIKeyGOSNKICFPGDZPQ-UHFFFAOYSA-N
MW286.31 g/mol
LogP3.08
Rot. Bonds3

About 1-[(2-fluoro-3-nitrophenyl)methyl]-2,3-dihydroinden-1-amine

1-[(2-fluoro-3-nitrophenyl)methyl]-2,3-dihydroinden-1-amine (PubChem CID 107353722) has the molecular formula C16H15FN2O2 and a molecular weight of 286.31 g/mol. Its IUPAC name is 1-[(2-fluoro-3-nitrophenyl)methyl]-2,3-dihydroinden-1-amine.

Molecular Properties

Compound Name1-[(2-fluoro-3-nitrophenyl)methyl]-2,3-dihydroinden-1-amine
PubChem CID107353722
Molecular FormulaC16H15FN2O2
Molecular Weight286.31 g/mol
Exact Mass286.11
IUPAC Name1-[(2-fluoro-3-nitrophenyl)methyl]-2,3-dihydroinden-1-amine
SMILESNC1(Cc2cccc([N+](=O)[O-])c2F)CCc2ccccc21
InChIInChI=1S/C16H15FN2O2/c17-15-12(5-3-7-14(15)19(20)21)10-16(18)9-8-11-4-1-2-6-13(11)16/h1-7H,8-10,18H2
InChIKeyGOSNKICFPGDZPQ-UHFFFAOYSA-N
XLogP3.08
TPSA69.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.31
LogP ≤ 53.08
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-[(4-bromo-2-nitrophenyl)methyl]-2,3-dihydroinden-1-amine
CID 114382796
1-[(4-chloro-2-nitrophenyl)methyl]-2,3-dihydroinden-1-amine
CID 65406091
1-[(4-nitrophenyl)methyl]-2,3-dihydroinden-1-amine
CID 65406090
5-[(2-chloro-3-fluorophenyl)methyl]-6,7,8,9-tetrahydrobenzo[7]annulen-5-amine
CID 115983446
1-(bromomethyl)-2-fluoro-3-nitrobenzene
CID 59139151
CID 159928766
CID 159928766
[4-ethyl-1-[(2-fluoro-3-nitrophenyl)methyl]cyclohexyl]methanamine
CID 107353703
1-(2-nitrophenyl)cyclopropan-1-amine
CID 55253196
1-[(2-fluoro-3-nitrophenyl)methyl]-4-methylcyclohexane-1-carboxylic acid
CID 107353715
5-[(4-chloro-2-fluorophenyl)methyl]-6,7,8,9-tetrahydrobenzo[7]annulen-5-amine
CID 114853405
N-ethyl-N-[(2-fluoro-3-nitrophenyl)methyl]ethanamine
CID 70295850
5-[(4-bromo-2-fluorophenyl)methyl]-6,7,8,9-tetrahydrobenzo[7]annulen-5-amine
CID 63407465

Frequently Asked Questions

What is the IUPAC name of 1-[(2-fluoro-3-nitrophenyl)methyl]-2,3-dihydroinden-1-amine?
The IUPAC name of 1-[(2-fluoro-3-nitrophenyl)methyl]-2,3-dihydroinden-1-amine (CID 107353722) is 1-[(2-fluoro-3-nitrophenyl)methyl]-2,3-dihydroinden-1-amine.
What is the SMILES notation for 1-[(2-fluoro-3-nitrophenyl)methyl]-2,3-dihydroinden-1-amine?
The canonical SMILES for 1-[(2-fluoro-3-nitrophenyl)methyl]-2,3-dihydroinden-1-amine is NC1(Cc2cccc([N+](=O)[O-])c2F)CCc2ccccc21.
What is the InChIKey of 1-[(2-fluoro-3-nitrophenyl)methyl]-2,3-dihydroinden-1-amine?
The InChIKey is GOSNKICFPGDZPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN2O2/c17-15-12(5-3-7-14(15)19(20)21)10-16(18)9-8-11-4-1-2-6-13(11)16/h1-7H,8-10,18H2.
What are the key properties of 1-[(2-fluoro-3-nitrophenyl)methyl]-2,3-dihydroinden-1-amine?
1-[(2-fluoro-3-nitrophenyl)methyl]-2,3-dihydroinden-1-amine has a molecular weight of 286.31 g/mol, XLogP of 3.08, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-fluoro-3-nitrophenyl)methyl]-2,3-dihydroinden-1-amine is sourced from PubChem (CID 107353722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).