1-(2-methyl-1H-benzo[g]indol-3-yl)ethanamine

C15H16N2 — CID 105482293

IUPAC1-(2-methyl-1H-benzo[g]indol-3-yl)ethanamine
SMILESCc1[nH]c2c(ccc3ccccc32)c1C(C)N
InChIInChI=1S/C15H16N2/c1-9(16)14-10(2)17-15-12-6-4-3-5-11(12)7-8-13(14)15/h3-9,17H,16H2,1-2H3
InChIKeySENKKWGWBXQCJT-UHFFFAOYSA-N
MW224.31 g/mol
LogP3.65
Rot. Bonds1

About 1-(2-methyl-1H-benzo[g]indol-3-yl)ethanamine

1-(2-methyl-1H-benzo[g]indol-3-yl)ethanamine (PubChem CID 105482293) has the molecular formula C15H16N2 and a molecular weight of 224.31 g/mol. Its IUPAC name is 1-(2-methyl-1H-benzo[g]indol-3-yl)ethanamine.

Molecular Properties

Compound Name1-(2-methyl-1H-benzo[g]indol-3-yl)ethanamine
PubChem CID105482293
Molecular FormulaC15H16N2
Molecular Weight224.31 g/mol
Exact Mass224.13
IUPAC Name1-(2-methyl-1H-benzo[g]indol-3-yl)ethanamine
SMILESCc1[nH]c2c(ccc3ccccc32)c1C(C)N
InChIInChI=1S/C15H16N2/c1-9(16)14-10(2)17-15-12-6-4-3-5-11(12)7-8-13(14)15/h3-9,17H,16H2,1-2H3
InChIKeySENKKWGWBXQCJT-UHFFFAOYSA-N
XLogP3.65
TPSA41.81 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.31
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

1-(2-methyl-1H-benzo[g]indol-3-yl)ethanone
CID 105480486
3-azaheptacyclo[15.12.0.02,14.04,13.05,10.018,27.021,26]nonacosa-1(17),2(14),4(13),5,7,9,11,15,18(27),19,21,23,25,28-tetradecaene
CID 175582575
1-(5-ethyl-2-methyl-1H-indol-3-yl)ethanamine
CID 82279274
(1R)-4-methyl-1-(2-methyl-1H-indol-3-yl)pentan-1-amine
CID 171206865
(1S)-1-(2-methyl-1H-indol-3-yl)ethane-1,2-diamine
CID 131198811
2-methyl-3-(pyrrolidin-1-ylmethyl)-1H-benzo[h]quinolin-4-one
CID 728890
3-(3-chlorobut-2-enyl)-2-methyl-1H-benzo[h]quinolin-4-one
CID 3100728
3-methyl-4-phenyl-1H-benzo[h]quinolin-2-one
CID 102280942
3-azaheptacyclo[15.12.0.02,14.04,13.05,10.018,23.024,29]nonacosa-1(17),2(14),4(13),5,7,9,11,15,18,20,22,24,26,28-tetradecaene
CID 149000939
16-azahexacyclo[12.11.0.02,11.05,10.015,23.017,22]pentacosa-1(14),2(11),3,5,7,9,12,15(23),17,19,21,24-dodecaene
CID 86153881
1-amino-1-(2-methyl-1H-indol-3-yl)propan-2-ol
CID 116859564
1-(5-methyl-2-phenyl-1H-indol-3-yl)ethanamine
CID 82023991

Frequently Asked Questions

What is the IUPAC name of 1-(2-methyl-1H-benzo[g]indol-3-yl)ethanamine?
The IUPAC name of 1-(2-methyl-1H-benzo[g]indol-3-yl)ethanamine (CID 105482293) is 1-(2-methyl-1H-benzo[g]indol-3-yl)ethanamine.
What is the SMILES notation for 1-(2-methyl-1H-benzo[g]indol-3-yl)ethanamine?
The canonical SMILES for 1-(2-methyl-1H-benzo[g]indol-3-yl)ethanamine is Cc1[nH]c2c(ccc3ccccc32)c1C(C)N.
What is the InChIKey of 1-(2-methyl-1H-benzo[g]indol-3-yl)ethanamine?
The InChIKey is SENKKWGWBXQCJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2/c1-9(16)14-10(2)17-15-12-6-4-3-5-11(12)7-8-13(14)15/h3-9,17H,16H2,1-2H3.
What are the key properties of 1-(2-methyl-1H-benzo[g]indol-3-yl)ethanamine?
1-(2-methyl-1H-benzo[g]indol-3-yl)ethanamine has a molecular weight of 224.31 g/mol, XLogP of 3.65, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methyl-1H-benzo[g]indol-3-yl)ethanamine is sourced from PubChem (CID 105482293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).