2-[(3-fluoro-5-nitrophenyl)methyl]-2,3-dihydro-1H-inden-1-amine

C16H15FN2O2 — CID 115980833

IUPAC2-[(3-fluoro-5-nitrophenyl)methyl]-2,3-dihydro-1H-inden-1-amine
SMILESNC1c2ccccc2CC1Cc1cc(F)cc([N+](=O)[O-])c1
InChIInChI=1S/C16H15FN2O2/c17-13-6-10(7-14(9-13)19(20)21)5-12-8-11-3-1-2-4-15(11)16(12)18/h1-4,6-7,9,12,16H,5,8,18H2
InChIKeyRJZMRHVVRPTCSR-UHFFFAOYSA-N
MW286.31 g/mol
LogP3.15
Rot. Bonds3

About 2-[(3-fluoro-5-nitrophenyl)methyl]-2,3-dihydro-1H-inden-1-amine

2-[(3-fluoro-5-nitrophenyl)methyl]-2,3-dihydro-1H-inden-1-amine (PubChem CID 115980833) has the molecular formula C16H15FN2O2 and a molecular weight of 286.31 g/mol. Its IUPAC name is 2-[(3-fluoro-5-nitrophenyl)methyl]-2,3-dihydro-1H-inden-1-amine.

Molecular Properties

Compound Name2-[(3-fluoro-5-nitrophenyl)methyl]-2,3-dihydro-1H-inden-1-amine
PubChem CID115980833
Molecular FormulaC16H15FN2O2
Molecular Weight286.31 g/mol
Exact Mass286.11
IUPAC Name2-[(3-fluoro-5-nitrophenyl)methyl]-2,3-dihydro-1H-inden-1-amine
SMILESNC1c2ccccc2CC1Cc1cc(F)cc([N+](=O)[O-])c1
InChIInChI=1S/C16H15FN2O2/c17-13-6-10(7-14(9-13)19(20)21)5-12-8-11-3-1-2-4-15(11)16(12)18/h1-4,6-7,9,12,16H,5,8,18H2
InChIKeyRJZMRHVVRPTCSR-UHFFFAOYSA-N
XLogP3.15
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 ≤ 53.15
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-bromo-2-[(3-nitrophenyl)methyl]-2,3-dihydro-1H-indene
CID 63471251
2-[2-(2-nitrophenyl)ethyl]-2,3-dihydro-1H-inden-1-amine
CID 63062129
2-[(2-chloro-5-fluorophenyl)methyl]-2,3-dihydro-1H-inden-1-amine
CID 102616734
(1R,2R)-1-amino-2,3-dihydro-1H-inden-2-ol;nitric acid
CID 11435788
1-(chloromethyl)-3-fluoro-5-nitrobenzene
CID 56924386
1-chloro-2-[(3-nitrophenyl)methyl]-1,2,3,4-tetrahydronaphthalene
CID 63459139
N-ethyl-2-[(3-fluoro-5-nitrophenyl)methyl]-4-methylcyclohexan-1-amine
CID 115980837
6-[(3-bromo-4-fluorophenyl)methyl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
CID 63403373
1-bromo-2-[(2-fluoro-3-nitrophenyl)methyl]-2,3-dihydro-1H-indene
CID 107350555
N'-[(3-fluoro-5-nitrophenyl)methyl]-N'-methylpropane-1,3-diamine
CID 112648596
2-[(3-nitrophenyl)methyl]cyclopentan-1-amine
CID 61381561
3-[(3-fluoro-5-nitrophenyl)methoxy]cyclohexan-1-amine
CID 112647913

Frequently Asked Questions

What is the IUPAC name of 2-[(3-fluoro-5-nitrophenyl)methyl]-2,3-dihydro-1H-inden-1-amine?
The IUPAC name of 2-[(3-fluoro-5-nitrophenyl)methyl]-2,3-dihydro-1H-inden-1-amine (CID 115980833) is 2-[(3-fluoro-5-nitrophenyl)methyl]-2,3-dihydro-1H-inden-1-amine.
What is the SMILES notation for 2-[(3-fluoro-5-nitrophenyl)methyl]-2,3-dihydro-1H-inden-1-amine?
The canonical SMILES for 2-[(3-fluoro-5-nitrophenyl)methyl]-2,3-dihydro-1H-inden-1-amine is NC1c2ccccc2CC1Cc1cc(F)cc([N+](=O)[O-])c1.
What is the InChIKey of 2-[(3-fluoro-5-nitrophenyl)methyl]-2,3-dihydro-1H-inden-1-amine?
The InChIKey is RJZMRHVVRPTCSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN2O2/c17-13-6-10(7-14(9-13)19(20)21)5-12-8-11-3-1-2-4-15(11)16(12)18/h1-4,6-7,9,12,16H,5,8,18H2.
What are the key properties of 2-[(3-fluoro-5-nitrophenyl)methyl]-2,3-dihydro-1H-inden-1-amine?
2-[(3-fluoro-5-nitrophenyl)methyl]-2,3-dihydro-1H-inden-1-amine has a molecular weight of 286.31 g/mol, XLogP of 3.15, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-fluoro-5-nitrophenyl)methyl]-2,3-dihydro-1H-inden-1-amine is sourced from PubChem (CID 115980833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).