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

C16H16N2O2 — CID 65406090

IUPAC1-[(4-nitrophenyl)methyl]-2,3-dihydroinden-1-amine
SMILESNC1(Cc2ccc([N+](=O)[O-])cc2)CCc2ccccc21
InChIInChI=1S/C16H16N2O2/c17-16(10-9-13-3-1-2-4-15(13)16)11-12-5-7-14(8-6-12)18(19)20/h1-8H,9-11,17H2
InChIKeyIMEWWAGBKFCODQ-UHFFFAOYSA-N
MW268.32 g/mol
LogP2.94
Rot. Bonds3

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

1-[(4-nitrophenyl)methyl]-2,3-dihydroinden-1-amine (PubChem CID 65406090) has the molecular formula C16H16N2O2 and a molecular weight of 268.32 g/mol. Its IUPAC name is 1-[(4-nitrophenyl)methyl]-2,3-dihydroinden-1-amine.

Molecular Properties

Compound Name1-[(4-nitrophenyl)methyl]-2,3-dihydroinden-1-amine
PubChem CID65406090
Molecular FormulaC16H16N2O2
Molecular Weight268.32 g/mol
Exact Mass268.12
IUPAC Name1-[(4-nitrophenyl)methyl]-2,3-dihydroinden-1-amine
SMILESNC1(Cc2ccc([N+](=O)[O-])cc2)CCc2ccccc21
InChIInChI=1S/C16H16N2O2/c17-16(10-9-13-3-1-2-4-15(13)16)11-12-5-7-14(8-6-12)18(19)20/h1-8H,9-11,17H2
InChIKeyIMEWWAGBKFCODQ-UHFFFAOYSA-N
XLogP2.94
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 ≤ 52.94
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-nitrophenyl)methyl]-2,3-dihydroinden-1-yl]methanamine
CID 65408670
2-[(4-nitrophenyl)methyl]-1,3-dihydroinden-2-amine
CID 65421595
1-[(2-fluoro-3-nitrophenyl)methyl]-2,3-dihydroinden-1-amine
CID 107353722
1-[(4-bromo-2-nitrophenyl)methyl]-2,3-dihydroinden-1-amine
CID 114382796
1-[(4-chloro-2-nitrophenyl)methyl]-2,3-dihydroinden-1-amine
CID 65406091
1-[(4-fluorophenyl)methyl]-3,4-dihydro-2H-naphthalen-1-amine
CID 60797953
4,4-dimethyl-1-[(4-nitrophenyl)methyl]cyclohexan-1-amine
CID 65420529
(4-nitrophenyl)methyl 2-[(4S)-2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl]acetate
CID 8587487
[(1S)-1-amino-2,3-dihydroinden-1-yl]methanol
CID 51892318
(1-nitro-2,3-dihydroinden-1-yl)methanol
CID 10774145
3-[(4-nitrophenyl)methyl]-1,2,4,5-tetrahydro-3-benzazepine
CID 23507712
1-[(4-nitrophenyl)methyl]-4-propan-2-ylcyclohexan-1-amine
CID 65421598

Frequently Asked Questions

What is the IUPAC name of 1-[(4-nitrophenyl)methyl]-2,3-dihydroinden-1-amine?
The IUPAC name of 1-[(4-nitrophenyl)methyl]-2,3-dihydroinden-1-amine (CID 65406090) is 1-[(4-nitrophenyl)methyl]-2,3-dihydroinden-1-amine.
What is the SMILES notation for 1-[(4-nitrophenyl)methyl]-2,3-dihydroinden-1-amine?
The canonical SMILES for 1-[(4-nitrophenyl)methyl]-2,3-dihydroinden-1-amine is NC1(Cc2ccc([N+](=O)[O-])cc2)CCc2ccccc21.
What is the InChIKey of 1-[(4-nitrophenyl)methyl]-2,3-dihydroinden-1-amine?
The InChIKey is IMEWWAGBKFCODQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O2/c17-16(10-9-13-3-1-2-4-15(13)16)11-12-5-7-14(8-6-12)18(19)20/h1-8H,9-11,17H2.
What are the key properties of 1-[(4-nitrophenyl)methyl]-2,3-dihydroinden-1-amine?
1-[(4-nitrophenyl)methyl]-2,3-dihydroinden-1-amine has a molecular weight of 268.32 g/mol, XLogP of 2.94, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-nitrophenyl)methyl]-2,3-dihydroinden-1-amine is sourced from PubChem (CID 65406090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).