N-[2-(2-nitrophenyl)ethyl]-2,3-dihydro-1H-inden-1-amine

C17H18N2O2 — CID 63062965

IUPACN-[2-(2-nitrophenyl)ethyl]-2,3-dihydro-1H-inden-1-amine
SMILESO=[N+]([O-])c1ccccc1CCNC1CCc2ccccc21
InChIInChI=1S/C17H18N2O2/c20-19(21)17-8-4-2-6-14(17)11-12-18-16-10-9-13-5-1-3-7-15(13)16/h1-8,16,18H,9-12H2
InChIKeyJXPGBOVZRRIPAA-UHFFFAOYSA-N
MW282.34 g/mol
LogP3.41
Rot. Bonds5

About N-[2-(2-nitrophenyl)ethyl]-2,3-dihydro-1H-inden-1-amine

N-[2-(2-nitrophenyl)ethyl]-2,3-dihydro-1H-inden-1-amine (PubChem CID 63062965) has the molecular formula C17H18N2O2 and a molecular weight of 282.34 g/mol. Its IUPAC name is N-[2-(2-nitrophenyl)ethyl]-2,3-dihydro-1H-inden-1-amine.

Molecular Properties

Compound NameN-[2-(2-nitrophenyl)ethyl]-2,3-dihydro-1H-inden-1-amine
PubChem CID63062965
Molecular FormulaC17H18N2O2
Molecular Weight282.34 g/mol
Exact Mass282.14
IUPAC NameN-[2-(2-nitrophenyl)ethyl]-2,3-dihydro-1H-inden-1-amine
SMILESO=[N+]([O-])c1ccccc1CCNC1CCc2ccccc21
InChIInChI=1S/C17H18N2O2/c20-19(21)17-8-4-2-6-14(17)11-12-18-16-10-9-13-5-1-3-7-15(13)16/h1-8,16,18H,9-12H2
InChIKeyJXPGBOVZRRIPAA-UHFFFAOYSA-N
XLogP3.41
TPSA55.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 53.41
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

N-[(2-chloro-6-nitrophenyl)methyl]-2,3-dihydro-1H-inden-1-amine
CID 63746470
N-[2-(2-nitrophenyl)ethyl]cyclooctanamine
CID 63063998
1-methyl-3-[2-(2-nitrophenyl)ethylamino]pyrrolidin-2-one
CID 103711175
N-[(2-chloro-5-nitrophenyl)methyl]-2,3-dihydro-1H-inden-1-amine
CID 43462323
N-but-3-ynyl-2,3-dihydro-1H-inden-1-amine
CID 63656053
3-(2,3-dihydro-1H-inden-1-ylamino)propanoic acid
CID 43088449
N-[2-(cyclopenten-1-yl)ethyl]-2,3-dihydro-1H-inden-1-amine
CID 113349085
4-[2-(2-nitrophenyl)ethylamino]cyclohexane-1-carboxylic acid
CID 63064027
N-[(6-nitro-1,3-benzodioxol-5-yl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine
CID 47008998
N-pent-4-ynyl-2,3-dihydro-1H-inden-1-amine
CID 115724846
(1S)-N-(2-nitrophenyl)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 7410620
N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]-2,3-dihydro-1H-inden-1-amine
CID 43203679

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-nitrophenyl)ethyl]-2,3-dihydro-1H-inden-1-amine?
The IUPAC name of N-[2-(2-nitrophenyl)ethyl]-2,3-dihydro-1H-inden-1-amine (CID 63062965) is N-[2-(2-nitrophenyl)ethyl]-2,3-dihydro-1H-inden-1-amine.
What is the SMILES notation for N-[2-(2-nitrophenyl)ethyl]-2,3-dihydro-1H-inden-1-amine?
The canonical SMILES for N-[2-(2-nitrophenyl)ethyl]-2,3-dihydro-1H-inden-1-amine is O=[N+]([O-])c1ccccc1CCNC1CCc2ccccc21.
What is the InChIKey of N-[2-(2-nitrophenyl)ethyl]-2,3-dihydro-1H-inden-1-amine?
The InChIKey is JXPGBOVZRRIPAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O2/c20-19(21)17-8-4-2-6-14(17)11-12-18-16-10-9-13-5-1-3-7-15(13)16/h1-8,16,18H,9-12H2.
What are the key properties of N-[2-(2-nitrophenyl)ethyl]-2,3-dihydro-1H-inden-1-amine?
N-[2-(2-nitrophenyl)ethyl]-2,3-dihydro-1H-inden-1-amine has a molecular weight of 282.34 g/mol, XLogP of 3.41, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-nitrophenyl)ethyl]-2,3-dihydro-1H-inden-1-amine is sourced from PubChem (CID 63062965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).