N-[(1-methyl-5-nitro-3-phenylindol-2-yl)methyl]ethanamine

C18H19N3O2 — CID 71148623

IUPACN-[(1-methyl-5-nitro-3-phenylindol-2-yl)methyl]ethanamine
SMILESCCNCc1c(-c2ccccc2)c2cc([N+](=O)[O-])ccc2n1C
InChIInChI=1S/C18H19N3O2/c1-3-19-12-17-18(13-7-5-4-6-8-13)15-11-14(21(22)23)9-10-16(15)20(17)2/h4-11,19H,3,12H2,1-2H3
InChIKeyRUXDPXFADDHGEP-UHFFFAOYSA-N
MW309.37 g/mol
LogP3.86
Rot. Bonds5

About N-[(1-methyl-5-nitro-3-phenylindol-2-yl)methyl]ethanamine

N-[(1-methyl-5-nitro-3-phenylindol-2-yl)methyl]ethanamine (PubChem CID 71148623) has the molecular formula C18H19N3O2 and a molecular weight of 309.37 g/mol. Its IUPAC name is N-[(1-methyl-5-nitro-3-phenylindol-2-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(1-methyl-5-nitro-3-phenylindol-2-yl)methyl]ethanamine
PubChem CID71148623
Molecular FormulaC18H19N3O2
Molecular Weight309.37 g/mol
Exact Mass309.15
IUPAC NameN-[(1-methyl-5-nitro-3-phenylindol-2-yl)methyl]ethanamine
SMILESCCNCc1c(-c2ccccc2)c2cc([N+](=O)[O-])ccc2n1C
InChIInChI=1S/C18H19N3O2/c1-3-19-12-17-18(13-7-5-4-6-8-13)15-11-14(21(22)23)9-10-16(15)20(17)2/h4-11,19H,3,12H2,1-2H3
InChIKeyRUXDPXFADDHGEP-UHFFFAOYSA-N
XLogP3.86
TPSA60.10 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-[(1-methyl-5-nitro-3-phenylindol-2-yl)methyl]ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(1-methyl-5-nitro-3-phenylindol-2-yl)methyl]ethanamine;2,2,2-trifluoroacetic acid
CID 71148613
(1-methyl-5-nitro-3-phenylindol-2-yl)methanol
CID 752812
2-butyl-1-methyl-5-nitro-3-phenylindole
CID 158637734
(1-methyl-5-nitro-3-phenylindol-2-yl)methanamine;hydrochloride
CID 13071415
1-ethyl-2-(methoxymethyl)-5-nitro-3-phenylindole
CID 787447
(2-methoxyphenyl)-(1-methyl-5-nitro-3-phenylindol-2-yl)methanol
CID 71148615
(2R)-1-(diethylamino)-3-(2-methyl-5-nitro-3-phenylindol-1-yl)propan-2-ol
CID 2056685
diethyl-[(2S)-2-hydroxy-3-(2-methyl-5-nitro-3-phenylindol-1-yl)propyl]azanium
CID 2056684
(2S)-1-(diethylamino)-3-(2-methyl-5-nitro-3-phenylindol-1-yl)propan-2-ol
CID 2056683
1-methyl-2-(4-nitrophenyl)-3-phenylindole
CID 160683376
4-methyl-7-nitro-1-phenylspiro[cyclopenta[b]indole-3,9'-fluorene]
CID 71514633
4-(ethylamino)-1-methyl-6-nitroquinolin-2-one
CID 135385757

Frequently Asked Questions

What is the IUPAC name of N-[(1-methyl-5-nitro-3-phenylindol-2-yl)methyl]ethanamine?
The IUPAC name of N-[(1-methyl-5-nitro-3-phenylindol-2-yl)methyl]ethanamine (CID 71148623) is N-[(1-methyl-5-nitro-3-phenylindol-2-yl)methyl]ethanamine.
What is the SMILES notation for N-[(1-methyl-5-nitro-3-phenylindol-2-yl)methyl]ethanamine?
The canonical SMILES for N-[(1-methyl-5-nitro-3-phenylindol-2-yl)methyl]ethanamine is CCNCc1c(-c2ccccc2)c2cc([N+](=O)[O-])ccc2n1C.
What is the InChIKey of N-[(1-methyl-5-nitro-3-phenylindol-2-yl)methyl]ethanamine?
The InChIKey is RUXDPXFADDHGEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O2/c1-3-19-12-17-18(13-7-5-4-6-8-13)15-11-14(21(22)23)9-10-16(15)20(17)2/h4-11,19H,3,12H2,1-2H3.
What are the key properties of N-[(1-methyl-5-nitro-3-phenylindol-2-yl)methyl]ethanamine?
N-[(1-methyl-5-nitro-3-phenylindol-2-yl)methyl]ethanamine has a molecular weight of 309.37 g/mol, XLogP of 3.86, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methyl-5-nitro-3-phenylindol-2-yl)methyl]ethanamine is sourced from PubChem (CID 71148623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).