1-[(4-chloro-2-nitrophenyl)methyl]-2,3-dihydroinden-1-amine

C16H15ClN2O2 — CID 65406091

IUPAC1-[(4-chloro-2-nitrophenyl)methyl]-2,3-dihydroinden-1-amine
SMILESNC1(Cc2ccc(Cl)cc2[N+](=O)[O-])CCc2ccccc21
InChIInChI=1S/C16H15ClN2O2/c17-13-6-5-12(15(9-13)19(20)21)10-16(18)8-7-11-3-1-2-4-14(11)16/h1-6,9H,7-8,10,18H2
InChIKeyXFPAXWVSCHROKH-UHFFFAOYSA-N
MW302.76 g/mol
LogP3.59
Rot. Bonds3

About 1-[(4-chloro-2-nitrophenyl)methyl]-2,3-dihydroinden-1-amine

1-[(4-chloro-2-nitrophenyl)methyl]-2,3-dihydroinden-1-amine (PubChem CID 65406091) has the molecular formula C16H15ClN2O2 and a molecular weight of 302.76 g/mol. Its IUPAC name is 1-[(4-chloro-2-nitrophenyl)methyl]-2,3-dihydroinden-1-amine.

Molecular Properties

Compound Name1-[(4-chloro-2-nitrophenyl)methyl]-2,3-dihydroinden-1-amine
PubChem CID65406091
Molecular FormulaC16H15ClN2O2
Molecular Weight302.76 g/mol
Exact Mass302.08
IUPAC Name1-[(4-chloro-2-nitrophenyl)methyl]-2,3-dihydroinden-1-amine
SMILESNC1(Cc2ccc(Cl)cc2[N+](=O)[O-])CCc2ccccc21
InChIInChI=1S/C16H15ClN2O2/c17-13-6-5-12(15(9-13)19(20)21)10-16(18)8-7-11-3-1-2-4-14(11)16/h1-6,9H,7-8,10,18H2
InChIKeyXFPAXWVSCHROKH-UHFFFAOYSA-N
XLogP3.59
TPSA69.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.76
LogP ≤ 53.59
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-[(2-fluoro-3-nitrophenyl)methyl]-2,3-dihydroinden-1-amine
CID 107353722
5-[(4-chloro-2-fluorophenyl)methyl]-6,7,8,9-tetrahydrobenzo[7]annulen-5-amine
CID 114853405
1-[(4-nitrophenyl)methyl]-2,3-dihydroinden-1-amine
CID 65406090
1-[(4-chloro-2-nitrophenyl)methyl]cyclopentane-1-carbonitrile
CID 65379317
1-[(4-chloro-2-nitrophenyl)methyl]cycloheptane-1-carbonitrile
CID 65389724
2-[(4-chloro-2-nitrophenyl)methyl]bicyclo[2.2.1]heptan-2-amine
CID 65020282
1-(5-chloro-2-nitrophenyl)cyclopropan-1-amine
CID 130545850
1-[1-[(4-chloro-2-nitrophenyl)methyl]cyclopropyl]-N-methylethanamine
CID 106797699
1-[(3-chlorothiophen-2-yl)methyl]-2,3-dihydroinden-1-amine
CID 112749484
4-[[[(1R)-1-(hydroxymethyl)-2,3-dihydroinden-1-yl]amino]methyl]-3-nitrobenzamide
CID 97330814
1-[(4-chloro-2-nitrophenyl)methyl]-3-ethylcyclopentane-1-carbonitrile
CID 65413296

Frequently Asked Questions

What is the IUPAC name of 1-[(4-chloro-2-nitrophenyl)methyl]-2,3-dihydroinden-1-amine?
The IUPAC name of 1-[(4-chloro-2-nitrophenyl)methyl]-2,3-dihydroinden-1-amine (CID 65406091) is 1-[(4-chloro-2-nitrophenyl)methyl]-2,3-dihydroinden-1-amine.
What is the SMILES notation for 1-[(4-chloro-2-nitrophenyl)methyl]-2,3-dihydroinden-1-amine?
The canonical SMILES for 1-[(4-chloro-2-nitrophenyl)methyl]-2,3-dihydroinden-1-amine is NC1(Cc2ccc(Cl)cc2[N+](=O)[O-])CCc2ccccc21.
What is the InChIKey of 1-[(4-chloro-2-nitrophenyl)methyl]-2,3-dihydroinden-1-amine?
The InChIKey is XFPAXWVSCHROKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN2O2/c17-13-6-5-12(15(9-13)19(20)21)10-16(18)8-7-11-3-1-2-4-14(11)16/h1-6,9H,7-8,10,18H2.
What are the key properties of 1-[(4-chloro-2-nitrophenyl)methyl]-2,3-dihydroinden-1-amine?
1-[(4-chloro-2-nitrophenyl)methyl]-2,3-dihydroinden-1-amine has a molecular weight of 302.76 g/mol, XLogP of 3.59, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chloro-2-nitrophenyl)methyl]-2,3-dihydroinden-1-amine is sourced from PubChem (CID 65406091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).