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

C16H15ClN2O2 — CID 43462323

IUPACN-[(2-chloro-5-nitrophenyl)methyl]-2,3-dihydro-1H-inden-1-amine
SMILESO=[N+]([O-])c1ccc(Cl)c(CNC2CCc3ccccc32)c1
InChIInChI=1S/C16H15ClN2O2/c17-15-7-6-13(19(20)21)9-12(15)10-18-16-8-5-11-3-1-2-4-14(11)16/h1-4,6-7,9,16,18H,5,8,10H2
InChIKeyZOVPEFIUISQDNR-UHFFFAOYSA-N
MW302.76 g/mol
LogP4.03
Rot. Bonds4

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

N-[(2-chloro-5-nitrophenyl)methyl]-2,3-dihydro-1H-inden-1-amine (PubChem CID 43462323) has the molecular formula C16H15ClN2O2 and a molecular weight of 302.76 g/mol. Its IUPAC name is N-[(2-chloro-5-nitrophenyl)methyl]-2,3-dihydro-1H-inden-1-amine.

Molecular Properties

Compound NameN-[(2-chloro-5-nitrophenyl)methyl]-2,3-dihydro-1H-inden-1-amine
PubChem CID43462323
Molecular FormulaC16H15ClN2O2
Molecular Weight302.76 g/mol
Exact Mass302.08
IUPAC NameN-[(2-chloro-5-nitrophenyl)methyl]-2,3-dihydro-1H-inden-1-amine
SMILESO=[N+]([O-])c1ccc(Cl)c(CNC2CCc3ccccc32)c1
InChIInChI=1S/C16H15ClN2O2/c17-15-7-6-13(19(20)21)9-12(15)10-18-16-8-5-11-3-1-2-4-14(11)16/h1-4,6-7,9,16,18H,5,8,10H2
InChIKeyZOVPEFIUISQDNR-UHFFFAOYSA-N
XLogP4.03
TPSA55.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.76
LogP ≤ 54.03
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-benzyl-6-nitro-2,3-dihydro-1H-inden-1-amine
CID 23298449
N-[(2-chloro-6-nitrophenyl)methyl]-2,3-dihydro-1H-inden-1-amine
CID 63746470
N-[(2-chloro-5-nitrophenyl)methyl]cyclobutanamine
CID 62415324
N-[(3-bromo-4-chlorophenyl)methyl]-2,3-dihydro-1H-inden-1-amine
CID 83235273
N-[2-(2-nitrophenyl)ethyl]-2,3-dihydro-1H-inden-1-amine
CID 63062965
N-[(6-nitro-1,3-benzodioxol-5-yl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine
CID 47008998
2-chloro-4-[(2,3-dihydro-1H-inden-1-ylamino)methyl]-5-fluorophenol
CID 142098971
N-(3-chloro-4-nitrophenyl)-2,3-dihydro-1H-inden-1-amine
CID 82863704
2-chloro-4-nitro-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide
CID 2468990
N-[(3-chloro-4-fluorophenyl)methyl]-2,3-dihydro-1H-inden-1-amine
CID 62537600
N-[(2-chloro-5-nitrophenyl)methyl]-2,4-dimethylcyclohexan-1-amine
CID 63994852
4-[(2-chloro-5-nitrophenyl)methylamino]cyclohexane-1-carboxamide
CID 43748824

Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-5-nitrophenyl)methyl]-2,3-dihydro-1H-inden-1-amine?
The IUPAC name of N-[(2-chloro-5-nitrophenyl)methyl]-2,3-dihydro-1H-inden-1-amine (CID 43462323) is N-[(2-chloro-5-nitrophenyl)methyl]-2,3-dihydro-1H-inden-1-amine.
What is the SMILES notation for N-[(2-chloro-5-nitrophenyl)methyl]-2,3-dihydro-1H-inden-1-amine?
The canonical SMILES for N-[(2-chloro-5-nitrophenyl)methyl]-2,3-dihydro-1H-inden-1-amine is O=[N+]([O-])c1ccc(Cl)c(CNC2CCc3ccccc32)c1.
What is the InChIKey of N-[(2-chloro-5-nitrophenyl)methyl]-2,3-dihydro-1H-inden-1-amine?
The InChIKey is ZOVPEFIUISQDNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN2O2/c17-15-7-6-13(19(20)21)9-12(15)10-18-16-8-5-11-3-1-2-4-14(11)16/h1-4,6-7,9,16,18H,5,8,10H2.
What are the key properties of N-[(2-chloro-5-nitrophenyl)methyl]-2,3-dihydro-1H-inden-1-amine?
N-[(2-chloro-5-nitrophenyl)methyl]-2,3-dihydro-1H-inden-1-amine has a molecular weight of 302.76 g/mol, XLogP of 4.03, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-5-nitrophenyl)methyl]-2,3-dihydro-1H-inden-1-amine is sourced from PubChem (CID 43462323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).