N,N-dimethyl-1-(2-methyl-4-nitro-1H-indol-3-yl)methanamine

C12H15N3O2 — CID 68689213

IUPACN,N-dimethyl-1-(2-methyl-4-nitro-1H-indol-3-yl)methanamine
SMILESCc1[nH]c2cccc([N+](=O)[O-])c2c1CN(C)C
InChIInChI=1S/C12H15N3O2/c1-8-9(7-14(2)3)12-10(13-8)5-4-6-11(12)15(16)17/h4-6,13H,7H2,1-3H3
InChIKeyGASOVVPLQWXJSG-UHFFFAOYSA-N
MW233.27 g/mol
LogP2.45
Rot. Bonds3

About N,N-dimethyl-1-(2-methyl-4-nitro-1H-indol-3-yl)methanamine

N,N-dimethyl-1-(2-methyl-4-nitro-1H-indol-3-yl)methanamine (PubChem CID 68689213) has the molecular formula C12H15N3O2 and a molecular weight of 233.27 g/mol. Its IUPAC name is N,N-dimethyl-1-(2-methyl-4-nitro-1H-indol-3-yl)methanamine.

Molecular Properties

Compound NameN,N-dimethyl-1-(2-methyl-4-nitro-1H-indol-3-yl)methanamine
PubChem CID68689213
Molecular FormulaC12H15N3O2
Molecular Weight233.27 g/mol
Exact Mass233.12
IUPAC NameN,N-dimethyl-1-(2-methyl-4-nitro-1H-indol-3-yl)methanamine
SMILESCc1[nH]c2cccc([N+](=O)[O-])c2c1CN(C)C
InChIInChI=1S/C12H15N3O2/c1-8-9(7-14(2)3)12-10(13-8)5-4-6-11(12)15(16)17/h4-6,13H,7H2,1-3H3
InChIKeyGASOVVPLQWXJSG-UHFFFAOYSA-N
XLogP2.45
TPSA62.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 52.45
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-(2-bromo-6-nitrophenyl)-N,N-dimethylmethanamine
CID 165469208
2-(4-nitro-2-propan-2-yl-1H-indol-3-yl)acetonitrile
CID 57426221
3-(2-amino-4-nitro-1H-indol-3-yl)propanoic acid
CID 70119892
5-nitro-3-propyl-1H-quinazoline-2,4-dione
CID 125491506
2-methyl-1-methylsulfonyl-3-nitrobenzene
CID 11746002
1-(2-hydrazinyl-3-nitrophenyl)-N,N-dimethylmethanamine
CID 107353006
1,5,9-trinitrotriphenylene
CID 86227277
N,N-dimethyl-3-(1-nitroacridin-9-yl)propan-1-amine
CID 102268628
(Z)-3-[(2-methyl-1H-indol-3-yl)methyl]-4-(2-nitrophenyl)but-3-en-2-one
CID 101469685
3-(chloromethyl)-4-nitro-1H-indole
CID 130049366
2-ethyl-4-nitro-1H-indole
CID 13047994
N,N-dimethyl-1-(4-methyl-3-nitrophenyl)methanamine
CID 58723694

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-(2-methyl-4-nitro-1H-indol-3-yl)methanamine?
The IUPAC name of N,N-dimethyl-1-(2-methyl-4-nitro-1H-indol-3-yl)methanamine (CID 68689213) is N,N-dimethyl-1-(2-methyl-4-nitro-1H-indol-3-yl)methanamine.
What is the SMILES notation for N,N-dimethyl-1-(2-methyl-4-nitro-1H-indol-3-yl)methanamine?
The canonical SMILES for N,N-dimethyl-1-(2-methyl-4-nitro-1H-indol-3-yl)methanamine is Cc1[nH]c2cccc([N+](=O)[O-])c2c1CN(C)C.
What is the InChIKey of N,N-dimethyl-1-(2-methyl-4-nitro-1H-indol-3-yl)methanamine?
The InChIKey is GASOVVPLQWXJSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O2/c1-8-9(7-14(2)3)12-10(13-8)5-4-6-11(12)15(16)17/h4-6,13H,7H2,1-3H3.
What are the key properties of N,N-dimethyl-1-(2-methyl-4-nitro-1H-indol-3-yl)methanamine?
N,N-dimethyl-1-(2-methyl-4-nitro-1H-indol-3-yl)methanamine has a molecular weight of 233.27 g/mol, XLogP of 2.45, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-(2-methyl-4-nitro-1H-indol-3-yl)methanamine is sourced from PubChem (CID 68689213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).