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

C17H18N2O2 — CID 63062129

IUPAC2-[2-(2-nitrophenyl)ethyl]-2,3-dihydro-1H-inden-1-amine
SMILESNC1c2ccccc2CC1CCc1ccccc1[N+](=O)[O-]
InChIInChI=1S/C17H18N2O2/c18-17-14(11-13-6-1-3-7-15(13)17)10-9-12-5-2-4-8-16(12)19(20)21/h1-8,14,17H,9-11,18H2
InChIKeySVWSABVJNJPUPG-UHFFFAOYSA-N
MW282.34 g/mol
LogP3.40
Rot. Bonds4

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

2-[2-(2-nitrophenyl)ethyl]-2,3-dihydro-1H-inden-1-amine (PubChem CID 63062129) has the molecular formula C17H18N2O2 and a molecular weight of 282.34 g/mol. Its IUPAC name is 2-[2-(2-nitrophenyl)ethyl]-2,3-dihydro-1H-inden-1-amine.

Molecular Properties

Compound Name2-[2-(2-nitrophenyl)ethyl]-2,3-dihydro-1H-inden-1-amine
PubChem CID63062129
Molecular FormulaC17H18N2O2
Molecular Weight282.34 g/mol
Exact Mass282.14
IUPAC Name2-[2-(2-nitrophenyl)ethyl]-2,3-dihydro-1H-inden-1-amine
SMILESNC1c2ccccc2CC1CCc1ccccc1[N+](=O)[O-]
InChIInChI=1S/C17H18N2O2/c18-17-14(11-13-6-1-3-7-15(13)17)10-9-12-5-2-4-8-16(12)19(20)21/h1-8,14,17H,9-11,18H2
InChIKeySVWSABVJNJPUPG-UHFFFAOYSA-N
XLogP3.40
TPSA69.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 53.40
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-[(2-nitrophenyl)methyl]-2,3-dihydro-1H-indene
CID 63471642
2-[2-(2-nitrophenyl)ethyl]cyclohexan-1-amine
CID 63061960
2-[2-(2-nitrophenyl)ethyl]cyclopentan-1-amine
CID 63061613
1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-2-(2-nitrophenyl)ethanol
CID 66396989
2-[2-(2-nitrophenyl)ethyl]-2,3-dihydroinden-1-one
CID 63062296
1-bromo-2-[(2-fluoro-3-nitrophenyl)methyl]-2,3-dihydro-1H-indene
CID 107350555
2-[(3-fluoro-5-nitrophenyl)methyl]-2,3-dihydro-1H-inden-1-amine
CID 115980833
(1R,2R)-1-amino-2,3-dihydro-1H-inden-2-ol;nitric acid
CID 11435788
N-(1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-yl)-2-(2-nitrophenyl)acetamide
CID 122137963
1-chloro-2-[(5-chloro-2-nitrophenyl)methyl]-2,3-dihydro-1H-indene
CID 79555363
N-[2-(2-nitrophenyl)ethyl]-2,3-dihydro-1H-inden-1-amine
CID 63062965
3-(2-nitrophenyl)propan-1-amine
CID 15715793

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-nitrophenyl)ethyl]-2,3-dihydro-1H-inden-1-amine?
The IUPAC name of 2-[2-(2-nitrophenyl)ethyl]-2,3-dihydro-1H-inden-1-amine (CID 63062129) is 2-[2-(2-nitrophenyl)ethyl]-2,3-dihydro-1H-inden-1-amine.
What is the SMILES notation for 2-[2-(2-nitrophenyl)ethyl]-2,3-dihydro-1H-inden-1-amine?
The canonical SMILES for 2-[2-(2-nitrophenyl)ethyl]-2,3-dihydro-1H-inden-1-amine is NC1c2ccccc2CC1CCc1ccccc1[N+](=O)[O-].
What is the InChIKey of 2-[2-(2-nitrophenyl)ethyl]-2,3-dihydro-1H-inden-1-amine?
The InChIKey is SVWSABVJNJPUPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O2/c18-17-14(11-13-6-1-3-7-15(13)17)10-9-12-5-2-4-8-16(12)19(20)21/h1-8,14,17H,9-11,18H2.
What are the key properties of 2-[2-(2-nitrophenyl)ethyl]-2,3-dihydro-1H-inden-1-amine?
2-[2-(2-nitrophenyl)ethyl]-2,3-dihydro-1H-inden-1-amine has a molecular weight of 282.34 g/mol, XLogP of 3.40, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-nitrophenyl)ethyl]-2,3-dihydro-1H-inden-1-amine is sourced from PubChem (CID 63062129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).