2-(2,6-dimethyl-1H-indol-3-yl)-2-phenylethanamine

C18H20N2 — CID 82501486

IUPAC2-(2,6-dimethyl-1H-indol-3-yl)-2-phenylethanamine
SMILESCc1ccc2c(C(CN)c3ccccc3)c(C)[nH]c2c1
InChIInChI=1S/C18H20N2/c1-12-8-9-15-17(10-12)20-13(2)18(15)16(11-19)14-6-4-3-5-7-14/h3-10,16,20H,11,19H2,1-2H3
InChIKeyKQGYEEXGMKXDQD-UHFFFAOYSA-N
MW264.37 g/mol
LogP3.88
Rot. Bonds3

About 2-(2,6-dimethyl-1H-indol-3-yl)-2-phenylethanamine

2-(2,6-dimethyl-1H-indol-3-yl)-2-phenylethanamine (PubChem CID 82501486) has the molecular formula C18H20N2 and a molecular weight of 264.37 g/mol. Its IUPAC name is 2-(2,6-dimethyl-1H-indol-3-yl)-2-phenylethanamine.

Molecular Properties

Compound Name2-(2,6-dimethyl-1H-indol-3-yl)-2-phenylethanamine
PubChem CID82501486
Molecular FormulaC18H20N2
Molecular Weight264.37 g/mol
Exact Mass264.16
IUPAC Name2-(2,6-dimethyl-1H-indol-3-yl)-2-phenylethanamine
SMILESCc1ccc2c(C(CN)c3ccccc3)c(C)[nH]c2c1
InChIInChI=1S/C18H20N2/c1-12-8-9-15-17(10-12)20-13(2)18(15)16(11-19)14-6-4-3-5-7-14/h3-10,16,20H,11,19H2,1-2H3
InChIKeyKQGYEEXGMKXDQD-UHFFFAOYSA-N
XLogP3.88
TPSA41.81 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 53.88
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

(2,6-dimethyl-1H-indol-3-yl)methanamine
CID 82411351
(1S)-1-(2-methyl-1H-indol-3-yl)ethane-1,2-diamine
CID 131198811
(4R)-4-(2-methyl-1H-indol-3-yl)-4-phenylbutan-2-one
CID 101252963
2-(5-bromo-1H-imidazol-2-yl)-2-(2-methyl-1H-indol-3-yl)ethanamine
CID 116835069
(3R)-3-(2-methyl-1H-indol-3-yl)-1,3-diphenylpropan-1-one
CID 101252964
2-[(R)-(6-methyl-2-phenyl-1H-indol-3-yl)-phenylmethyl]propanedinitrile
CID 118908788
2-methyl-7-propan-2-yl-9H-carbazole
CID 70868316
2-(6-chloro-2-methyl-1H-indol-3-yl)-3-methylbutan-1-amine
CID 82499289
3-(chloromethyl)-2,6-dimethyl-1H-indole
CID 130049399
3-(2-methyl-1H-indol-3-yl)butan-1-amine
CID 82397034
(2R,3S)-3-(2-methyl-1H-indol-3-yl)-3-phenylpropane-1,2-diol
CID 102355251
2-(2,6-dimethyl-1H-indol-3-yl)acetamide
CID 82491600

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dimethyl-1H-indol-3-yl)-2-phenylethanamine?
The IUPAC name of 2-(2,6-dimethyl-1H-indol-3-yl)-2-phenylethanamine (CID 82501486) is 2-(2,6-dimethyl-1H-indol-3-yl)-2-phenylethanamine.
What is the SMILES notation for 2-(2,6-dimethyl-1H-indol-3-yl)-2-phenylethanamine?
The canonical SMILES for 2-(2,6-dimethyl-1H-indol-3-yl)-2-phenylethanamine is Cc1ccc2c(C(CN)c3ccccc3)c(C)[nH]c2c1.
What is the InChIKey of 2-(2,6-dimethyl-1H-indol-3-yl)-2-phenylethanamine?
The InChIKey is KQGYEEXGMKXDQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2/c1-12-8-9-15-17(10-12)20-13(2)18(15)16(11-19)14-6-4-3-5-7-14/h3-10,16,20H,11,19H2,1-2H3.
What are the key properties of 2-(2,6-dimethyl-1H-indol-3-yl)-2-phenylethanamine?
2-(2,6-dimethyl-1H-indol-3-yl)-2-phenylethanamine has a molecular weight of 264.37 g/mol, XLogP of 3.88, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dimethyl-1H-indol-3-yl)-2-phenylethanamine is sourced from PubChem (CID 82501486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).