1-(5-ethyl-2-methyl-1H-indol-3-yl)propan-2-amine

C14H20N2 — CID 82279096

IUPAC1-(5-ethyl-2-methyl-1H-indol-3-yl)propan-2-amine
SMILESCCc1ccc2[nH]c(C)c(CC(C)N)c2c1
InChIInChI=1S/C14H20N2/c1-4-11-5-6-14-13(8-11)12(7-9(2)15)10(3)16-14/h5-6,8-9,16H,4,7,15H2,1-3H3
InChIKeyDCSQXGRVKWHWOF-UHFFFAOYSA-N
MW216.33 g/mol
LogP2.93
Rot. Bonds3

About 1-(5-ethyl-2-methyl-1H-indol-3-yl)propan-2-amine

1-(5-ethyl-2-methyl-1H-indol-3-yl)propan-2-amine (PubChem CID 82279096) has the molecular formula C14H20N2 and a molecular weight of 216.33 g/mol. Its IUPAC name is 1-(5-ethyl-2-methyl-1H-indol-3-yl)propan-2-amine.

Molecular Properties

Compound Name1-(5-ethyl-2-methyl-1H-indol-3-yl)propan-2-amine
PubChem CID82279096
Molecular FormulaC14H20N2
Molecular Weight216.33 g/mol
Exact Mass216.16
IUPAC Name1-(5-ethyl-2-methyl-1H-indol-3-yl)propan-2-amine
SMILESCCc1ccc2[nH]c(C)c(CC(C)N)c2c1
InChIInChI=1S/C14H20N2/c1-4-11-5-6-14-13(8-11)12(7-9(2)15)10(3)16-14/h5-6,8-9,16H,4,7,15H2,1-3H3
InChIKeyDCSQXGRVKWHWOF-UHFFFAOYSA-N
XLogP2.93
TPSA41.81 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.33
LogP ≤ 52.93
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)ethanamine
CID 82279274
1-(2,3-dimethyl-1H-indol-5-yl)propan-2-amine
CID 115006304
3-bromo-5-ethyl-2-methyl-1H-indole
CID 82279891
1-(6-methyl-5H-[1,3]dioxolo[4,5-f]indol-7-yl)propan-2-amine
CID 82495723
2-methyl-3-(2-methylpropyl)-5-propan-2-yl-1H-indole
CID 102497800
2-(6-ethyl-2-methyl-1H-indol-3-yl)ethanamine
CID 84670916
4-(5-bromo-2-methyl-1H-indol-3-yl)butan-2-amine
CID 82502209
6-ethyl-2-methyl-3-(piperidin-1-ylmethyl)-1H-quinolin-4-one
CID 702770
(2S)-2-amino-3-(5-chloro-2-methyl-1H-indol-3-yl)propanoic acid
CID 91184565
2-N-[(3-ethyl-2-methyl-1H-indol-5-yl)methyl]-4-N,6-N-dimethyl-1,3,5-triazine-2,4,6-triamine
CID 171509547
N-[2-(diethylamino)ethyl]-2-(5-ethyl-2-methyl-1H-indol-3-yl)acetamide
CID 25246473
2-(5-butyl-2-methyl-1H-indol-3-yl)ethylazanium
CID 2060969

Frequently Asked Questions

What is the IUPAC name of 1-(5-ethyl-2-methyl-1H-indol-3-yl)propan-2-amine?
The IUPAC name of 1-(5-ethyl-2-methyl-1H-indol-3-yl)propan-2-amine (CID 82279096) is 1-(5-ethyl-2-methyl-1H-indol-3-yl)propan-2-amine.
What is the SMILES notation for 1-(5-ethyl-2-methyl-1H-indol-3-yl)propan-2-amine?
The canonical SMILES for 1-(5-ethyl-2-methyl-1H-indol-3-yl)propan-2-amine is CCc1ccc2[nH]c(C)c(CC(C)N)c2c1.
What is the InChIKey of 1-(5-ethyl-2-methyl-1H-indol-3-yl)propan-2-amine?
The InChIKey is DCSQXGRVKWHWOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2/c1-4-11-5-6-14-13(8-11)12(7-9(2)15)10(3)16-14/h5-6,8-9,16H,4,7,15H2,1-3H3.
What are the key properties of 1-(5-ethyl-2-methyl-1H-indol-3-yl)propan-2-amine?
1-(5-ethyl-2-methyl-1H-indol-3-yl)propan-2-amine has a molecular weight of 216.33 g/mol, XLogP of 2.93, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-ethyl-2-methyl-1H-indol-3-yl)propan-2-amine is sourced from PubChem (CID 82279096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).