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

C17H18N2O2 — CID 65408670

IUPAC[1-[(4-nitrophenyl)methyl]-2,3-dihydroinden-1-yl]methanamine
SMILESNCC1(Cc2ccc([N+](=O)[O-])cc2)CCc2ccccc21
InChIInChI=1S/C17H18N2O2/c18-12-17(10-9-14-3-1-2-4-16(14)17)11-13-5-7-15(8-6-13)19(20)21/h1-8H,9-12,18H2
InChIKeyNOSCGRSECJJWRC-UHFFFAOYSA-N
MW282.34 g/mol
LogP2.98
Rot. Bonds4

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

[1-[(4-nitrophenyl)methyl]-2,3-dihydroinden-1-yl]methanamine (PubChem CID 65408670) has the molecular formula C17H18N2O2 and a molecular weight of 282.34 g/mol. Its IUPAC name is [1-[(4-nitrophenyl)methyl]-2,3-dihydroinden-1-yl]methanamine.

Molecular Properties

Compound Name[1-[(4-nitrophenyl)methyl]-2,3-dihydroinden-1-yl]methanamine
PubChem CID65408670
Molecular FormulaC17H18N2O2
Molecular Weight282.34 g/mol
Exact Mass282.14
IUPAC Name[1-[(4-nitrophenyl)methyl]-2,3-dihydroinden-1-yl]methanamine
SMILESNCC1(Cc2ccc([N+](=O)[O-])cc2)CCc2ccccc21
InChIInChI=1S/C17H18N2O2/c18-12-17(10-9-14-3-1-2-4-16(14)17)11-13-5-7-15(8-6-13)19(20)21/h1-8H,9-12,18H2
InChIKeyNOSCGRSECJJWRC-UHFFFAOYSA-N
XLogP2.98
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 ≤ 52.98
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-amine
CID 65406090
2-[(4-nitrophenyl)methyl]-1,3-dihydroinden-2-amine
CID 65421595
[1-[(3-bromo-4-fluorophenyl)methyl]-2,3-dihydroinden-1-yl]methanamine
CID 65407326
4,4-dimethyl-1-[(4-nitrophenyl)methyl]cyclohexan-1-amine
CID 65420529
[1-(1,3-thiazol-5-ylmethyl)-2,3-dihydroinden-1-yl]methanamine
CID 112645153
(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)cyclopropyl]methanamine
CID 16641700
[1-(1,3-benzothiazol-2-ylmethyl)-2,3-dihydroinden-1-yl]methanamine
CID 104632338
[1-(2-propylsulfonylethyl)-2,3-dihydroinden-1-yl]methanamine
CID 106734067
2-methyl-2-[(4-nitrophenyl)methyl]-1,3-dioxolane
CID 14086865
(4-nitrophenyl)methyl 2-[(4S)-2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl]acetate
CID 8587487

Frequently Asked Questions

What is the IUPAC name of [1-[(4-nitrophenyl)methyl]-2,3-dihydroinden-1-yl]methanamine?
The IUPAC name of [1-[(4-nitrophenyl)methyl]-2,3-dihydroinden-1-yl]methanamine (CID 65408670) is [1-[(4-nitrophenyl)methyl]-2,3-dihydroinden-1-yl]methanamine.
What is the SMILES notation for [1-[(4-nitrophenyl)methyl]-2,3-dihydroinden-1-yl]methanamine?
The canonical SMILES for [1-[(4-nitrophenyl)methyl]-2,3-dihydroinden-1-yl]methanamine is NCC1(Cc2ccc([N+](=O)[O-])cc2)CCc2ccccc21.
What is the InChIKey of [1-[(4-nitrophenyl)methyl]-2,3-dihydroinden-1-yl]methanamine?
The InChIKey is NOSCGRSECJJWRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O2/c18-12-17(10-9-14-3-1-2-4-16(14)17)11-13-5-7-15(8-6-13)19(20)21/h1-8H,9-12,18H2.
What are the key properties of [1-[(4-nitrophenyl)methyl]-2,3-dihydroinden-1-yl]methanamine?
[1-[(4-nitrophenyl)methyl]-2,3-dihydroinden-1-yl]methanamine has a molecular weight of 282.34 g/mol, XLogP of 2.98, 4 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-yl]methanamine is sourced from PubChem (CID 65408670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).