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

C20H24N2O2 — CID 143451704

IUPACN-methyl-N-[1-(2-methyl-5-nitrophenyl)propyl]-2,3-dihydro-1H-inden-2-amine
SMILESCCC(c1cc([N+](=O)[O-])ccc1C)N(C)C1Cc2ccccc2C1
InChIInChI=1S/C20H24N2O2/c1-4-20(19-13-17(22(23)24)10-9-14(19)2)21(3)18-11-15-7-5-6-8-16(15)12-18/h5-10,13,18,20H,4,11-12H2,1-3H3
InChIKeyJRPRMJQVFCZZCC-UHFFFAOYSA-N
MW324.42 g/mol
LogP4.45
Rot. Bonds5

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

N-methyl-N-[1-(2-methyl-5-nitrophenyl)propyl]-2,3-dihydro-1H-inden-2-amine (PubChem CID 143451704) has the molecular formula C20H24N2O2 and a molecular weight of 324.42 g/mol. Its IUPAC name is N-methyl-N-[1-(2-methyl-5-nitrophenyl)propyl]-2,3-dihydro-1H-inden-2-amine.

Molecular Properties

Compound NameN-methyl-N-[1-(2-methyl-5-nitrophenyl)propyl]-2,3-dihydro-1H-inden-2-amine
PubChem CID143451704
Molecular FormulaC20H24N2O2
Molecular Weight324.42 g/mol
Exact Mass324.18
IUPAC NameN-methyl-N-[1-(2-methyl-5-nitrophenyl)propyl]-2,3-dihydro-1H-inden-2-amine
SMILESCCC(c1cc([N+](=O)[O-])ccc1C)N(C)C1Cc2ccccc2C1
InChIInChI=1S/C20H24N2O2/c1-4-20(19-13-17(22(23)24)10-9-14(19)2)21(3)18-11-15-7-5-6-8-16(15)12-18/h5-10,13,18,20H,4,11-12H2,1-3H3
InChIKeyJRPRMJQVFCZZCC-UHFFFAOYSA-N
XLogP4.45
TPSA46.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.42
LogP ≤ 54.45
H-Bond Donors ≤ 50
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

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CID 143798410
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2-methyl-2-[[methyl-[1-(2-methyl-5-nitrophenyl)ethyl]amino]methyl]propane-1,3-diol
CID 110009344
1-(2-methyl-5-nitrophenyl)-2-(2-methylphenyl)ethanamine
CID 43825307
N-methyl-5-nitro-N-[2-(4-nitrophenyl)ethyl]-2,3-dihydro-1H-inden-2-amine
CID 14835241
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CID 106837285
(4-ethylphenyl)-(2-methyl-5-nitrophenyl)methanamine
CID 43825316
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CID 142027956
2,3-dihydro-1-benzofuran-2-yl-(2,3-dimethyl-5-nitrophenyl)methanamine
CID 43825096
N-[1-cyclopropyl-2-(2-methyl-4-nitrophenyl)ethyl]propan-1-amine
CID 63355424
(1R)-1-[2-(2-methyl-5-nitrophenoxy)phenyl]propan-1-ol
CID 103960584
(1S)-1-[2-(2-methyl-5-nitrophenoxy)phenyl]propan-1-ol
CID 103960585

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[1-(2-methyl-5-nitrophenyl)propyl]-2,3-dihydro-1H-inden-2-amine?
The IUPAC name of N-methyl-N-[1-(2-methyl-5-nitrophenyl)propyl]-2,3-dihydro-1H-inden-2-amine (CID 143451704) is N-methyl-N-[1-(2-methyl-5-nitrophenyl)propyl]-2,3-dihydro-1H-inden-2-amine.
What is the SMILES notation for N-methyl-N-[1-(2-methyl-5-nitrophenyl)propyl]-2,3-dihydro-1H-inden-2-amine?
The canonical SMILES for N-methyl-N-[1-(2-methyl-5-nitrophenyl)propyl]-2,3-dihydro-1H-inden-2-amine is CCC(c1cc([N+](=O)[O-])ccc1C)N(C)C1Cc2ccccc2C1.
What is the InChIKey of N-methyl-N-[1-(2-methyl-5-nitrophenyl)propyl]-2,3-dihydro-1H-inden-2-amine?
The InChIKey is JRPRMJQVFCZZCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O2/c1-4-20(19-13-17(22(23)24)10-9-14(19)2)21(3)18-11-15-7-5-6-8-16(15)12-18/h5-10,13,18,20H,4,11-12H2,1-3H3.
What are the key properties of N-methyl-N-[1-(2-methyl-5-nitrophenyl)propyl]-2,3-dihydro-1H-inden-2-amine?
N-methyl-N-[1-(2-methyl-5-nitrophenyl)propyl]-2,3-dihydro-1H-inden-2-amine has a molecular weight of 324.42 g/mol, XLogP of 4.45, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[1-(2-methyl-5-nitrophenyl)propyl]-2,3-dihydro-1H-inden-2-amine is sourced from PubChem (CID 143451704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).