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

C16H16N2O2 — CID 65421595

IUPAC2-[(4-nitrophenyl)methyl]-1,3-dihydroinden-2-amine
SMILESNC1(Cc2ccc([N+](=O)[O-])cc2)Cc2ccccc2C1
InChIInChI=1S/C16H16N2O2/c17-16(10-13-3-1-2-4-14(13)11-16)9-12-5-7-15(8-6-12)18(19)20/h1-8H,9-11,17H2
InChIKeyRXKHHVXGMSRJAF-UHFFFAOYSA-N
MW268.32 g/mol
LogP2.63
Rot. Bonds3

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

2-[(4-nitrophenyl)methyl]-1,3-dihydroinden-2-amine (PubChem CID 65421595) has the molecular formula C16H16N2O2 and a molecular weight of 268.32 g/mol. Its IUPAC name is 2-[(4-nitrophenyl)methyl]-1,3-dihydroinden-2-amine.

Molecular Properties

Compound Name2-[(4-nitrophenyl)methyl]-1,3-dihydroinden-2-amine
PubChem CID65421595
Molecular FormulaC16H16N2O2
Molecular Weight268.32 g/mol
Exact Mass268.12
IUPAC Name2-[(4-nitrophenyl)methyl]-1,3-dihydroinden-2-amine
SMILESNC1(Cc2ccc([N+](=O)[O-])cc2)Cc2ccccc2C1
InChIInChI=1S/C16H16N2O2/c17-16(10-13-3-1-2-4-14(13)11-16)9-12-5-7-15(8-6-12)18(19)20/h1-8H,9-11,17H2
InChIKeyRXKHHVXGMSRJAF-UHFFFAOYSA-N
XLogP2.63
TPSA69.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 52.63
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

4,4-dimethyl-1-[(4-nitrophenyl)methyl]cyclohexan-1-amine
CID 65420529
1-[(4-nitrophenyl)methyl]-2,3-dihydroinden-1-amine
CID 65406090
1-[(4-nitrophenyl)methyl]-4-propan-2-ylcyclohexan-1-amine
CID 65421598
[1-[(4-nitrophenyl)methyl]-2,3-dihydroinden-1-yl]methanamine
CID 65408670
2-[[4-(trifluoromethyl)phenyl]methyl]-1,3-dihydroinden-2-amine
CID 62619932
3-methyl-1-[(4-nitrophenyl)methyl]cyclopentan-1-amine
CID 65420076
3-ethyl-1-[(4-nitrophenyl)methyl]cyclohexan-1-amine
CID 65422470
2-methyl-2-[(4-nitrophenyl)methyl]-1,3-dioxolane
CID 14086865
3-[(4-nitrophenyl)methyl]-1,2,4,5-tetrahydro-3-benzazepine
CID 23507712
4,4-dimethyl-1-[2-(4-nitrophenyl)ethyl]cyclohexan-1-amine
CID 65420963
2-[(4-chloro-3-fluorophenyl)methyl]-1,3-dihydroinden-2-amine
CID 107883808
1-benzyl-4-[(4-nitrophenyl)methyl]piperazine-1,4-diium
CID 6939615

Frequently Asked Questions

What is the IUPAC name of 2-[(4-nitrophenyl)methyl]-1,3-dihydroinden-2-amine?
The IUPAC name of 2-[(4-nitrophenyl)methyl]-1,3-dihydroinden-2-amine (CID 65421595) is 2-[(4-nitrophenyl)methyl]-1,3-dihydroinden-2-amine.
What is the SMILES notation for 2-[(4-nitrophenyl)methyl]-1,3-dihydroinden-2-amine?
The canonical SMILES for 2-[(4-nitrophenyl)methyl]-1,3-dihydroinden-2-amine is NC1(Cc2ccc([N+](=O)[O-])cc2)Cc2ccccc2C1.
What is the InChIKey of 2-[(4-nitrophenyl)methyl]-1,3-dihydroinden-2-amine?
The InChIKey is RXKHHVXGMSRJAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O2/c17-16(10-13-3-1-2-4-14(13)11-16)9-12-5-7-15(8-6-12)18(19)20/h1-8H,9-11,17H2.
What are the key properties of 2-[(4-nitrophenyl)methyl]-1,3-dihydroinden-2-amine?
2-[(4-nitrophenyl)methyl]-1,3-dihydroinden-2-amine has a molecular weight of 268.32 g/mol, XLogP of 2.63, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-nitrophenyl)methyl]-1,3-dihydroinden-2-amine is sourced from PubChem (CID 65421595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).