1-(2,3-dimethyl-1H-indol-5-yl)propan-2-amine

C13H18N2 — CID 115006304

IUPAC1-(2,3-dimethyl-1H-indol-5-yl)propan-2-amine
SMILESCc1[nH]c2ccc(CC(C)N)cc2c1C
InChIInChI=1S/C13H18N2/c1-8(14)6-11-4-5-13-12(7-11)9(2)10(3)15-13/h4-5,7-8,15H,6,14H2,1-3H3
InChIKeyZRGSJEMOLAEERK-UHFFFAOYSA-N
MW202.30 g/mol
LogP2.67
Rot. Bonds2

About 1-(2,3-dimethyl-1H-indol-5-yl)propan-2-amine

1-(2,3-dimethyl-1H-indol-5-yl)propan-2-amine (PubChem CID 115006304) has the molecular formula C13H18N2 and a molecular weight of 202.30 g/mol. Its IUPAC name is 1-(2,3-dimethyl-1H-indol-5-yl)propan-2-amine.

Molecular Properties

Compound Name1-(2,3-dimethyl-1H-indol-5-yl)propan-2-amine
PubChem CID115006304
Molecular FormulaC13H18N2
Molecular Weight202.30 g/mol
Exact Mass202.15
IUPAC Name1-(2,3-dimethyl-1H-indol-5-yl)propan-2-amine
SMILESCc1[nH]c2ccc(CC(C)N)cc2c1C
InChIInChI=1S/C13H18N2/c1-8(14)6-11-4-5-13-12(7-11)9(2)10(3)15-13/h4-5,7-8,15H,6,14H2,1-3H3
InChIKeyZRGSJEMOLAEERK-UHFFFAOYSA-N
XLogP2.67
TPSA41.81 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 52.67
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-(5-ethyl-2-methyl-1H-indol-3-yl)propan-2-amine
CID 82279096
1-[8-(2-aminopropyl)dibenzothiophen-2-yl]propan-2-amine
CID 170864486
1-(5-ethyl-2-methyl-1H-indol-3-yl)ethanamine
CID 82279274
N-[(2,3-dimethyl-1H-indol-5-yl)methyl]acetamide
CID 26390650
1-(2,3-dimethyl-1-benzothiophen-6-yl)propan-2-amine
CID 117313447
2,3,5-trimethyl-1H-indole;vanadium
CID 159816698
1-(1,2,3-trimethylindol-5-yl)propan-2-amine
CID 115006318
methyl 3-(2,3-dimethyl-1H-indol-5-yl)propanoate
CID 116996350
2-(2,3-dimethyl-1H-indol-5-yl)-3-methylbutan-1-ol
CID 116996378
(2S)-2-[(2,3-dimethyl-1H-indol-5-yl)methylamino]-2-phenylacetamide
CID 95586075
5-(2-aminopropyl)-3-methyl-1H-benzimidazol-2-one
CID 83882487
(2R)-1-(1H-indazol-5-yl)propan-2-amine
CID 146673459

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dimethyl-1H-indol-5-yl)propan-2-amine?
The IUPAC name of 1-(2,3-dimethyl-1H-indol-5-yl)propan-2-amine (CID 115006304) is 1-(2,3-dimethyl-1H-indol-5-yl)propan-2-amine.
What is the SMILES notation for 1-(2,3-dimethyl-1H-indol-5-yl)propan-2-amine?
The canonical SMILES for 1-(2,3-dimethyl-1H-indol-5-yl)propan-2-amine is Cc1[nH]c2ccc(CC(C)N)cc2c1C.
What is the InChIKey of 1-(2,3-dimethyl-1H-indol-5-yl)propan-2-amine?
The InChIKey is ZRGSJEMOLAEERK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2/c1-8(14)6-11-4-5-13-12(7-11)9(2)10(3)15-13/h4-5,7-8,15H,6,14H2,1-3H3.
What are the key properties of 1-(2,3-dimethyl-1H-indol-5-yl)propan-2-amine?
1-(2,3-dimethyl-1H-indol-5-yl)propan-2-amine has a molecular weight of 202.30 g/mol, XLogP of 2.67, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dimethyl-1H-indol-5-yl)propan-2-amine is sourced from PubChem (CID 115006304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).