N-ethyl-2-(7-methoxy-2,5-dimethyl-1H-indol-3-yl)ethanamine

C15H22N2O — CID 96675406

IUPACN-ethyl-2-(7-methoxy-2,5-dimethyl-1H-indol-3-yl)ethanamine
SMILESCCNCCc1c(C)[nH]c2c(OC)cc(C)cc12
InChIInChI=1S/C15H22N2O/c1-5-16-7-6-12-11(3)17-15-13(12)8-10(2)9-14(15)18-4/h8-9,16-17H,5-7H2,1-4H3
InChIKeyOSCGKYPBAFIGRM-UHFFFAOYSA-N
MW246.35 g/mol
LogP2.95
Rot. Bonds5

About N-ethyl-2-(7-methoxy-2,5-dimethyl-1H-indol-3-yl)ethanamine

N-ethyl-2-(7-methoxy-2,5-dimethyl-1H-indol-3-yl)ethanamine (PubChem CID 96675406) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is N-ethyl-2-(7-methoxy-2,5-dimethyl-1H-indol-3-yl)ethanamine.

Molecular Properties

Compound NameN-ethyl-2-(7-methoxy-2,5-dimethyl-1H-indol-3-yl)ethanamine
PubChem CID96675406
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC NameN-ethyl-2-(7-methoxy-2,5-dimethyl-1H-indol-3-yl)ethanamine
SMILESCCNCCc1c(C)[nH]c2c(OC)cc(C)cc12
InChIInChI=1S/C15H22N2O/c1-5-16-7-6-12-11(3)17-15-13(12)8-10(2)9-14(15)18-4/h8-9,16-17H,5-7H2,1-4H3
InChIKeyOSCGKYPBAFIGRM-UHFFFAOYSA-N
XLogP2.95
TPSA37.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(7-methoxy-2,5-dimethyl-1H-indol-3-yl)acetonitrile
CID 82492794
1-(7-methoxy-2,5-dimethyl-1H-indol-3-yl)ethanone
CID 82493293
N-[(7-methoxy-2-methyl-1H-indol-3-yl)methyl]ethanamine
CID 65335513
N-ethyl-2-(2,4,7-trimethyl-1H-indol-3-yl)ethanamine
CID 82495305
2-(7-methoxy-5-methyl-2-propan-2-yl-1H-indol-3-yl)ethanamine
CID 84741796
2-(6-chloro-2-methyl-1H-indol-3-yl)-N-ethylethanamine
CID 82496918
N-ethyl-2-(5-fluoro-2-methyl-1H-indol-3-yl)ethanamine
CID 82494090
2-(5-chloro-2-methyl-1H-indol-3-yl)-N-ethylethanamine
CID 82496893
N-ethyl-2-(3,4,5-trimethoxyphenyl)ethanamine
CID 14089100
2-methoxy-N-[(2,5,7-trimethyl-1H-indol-3-yl)methyl]ethanamine
CID 65335149
8-methoxy-2,6-dimethyl-1H-quinolin-4-one
CID 54773037
2-(2,5-dimethoxy-4-methylphenyl)-N-ethylethanamine
CID 98783839

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(7-methoxy-2,5-dimethyl-1H-indol-3-yl)ethanamine?
The IUPAC name of N-ethyl-2-(7-methoxy-2,5-dimethyl-1H-indol-3-yl)ethanamine (CID 96675406) is N-ethyl-2-(7-methoxy-2,5-dimethyl-1H-indol-3-yl)ethanamine.
What is the SMILES notation for N-ethyl-2-(7-methoxy-2,5-dimethyl-1H-indol-3-yl)ethanamine?
The canonical SMILES for N-ethyl-2-(7-methoxy-2,5-dimethyl-1H-indol-3-yl)ethanamine is CCNCCc1c(C)[nH]c2c(OC)cc(C)cc12.
What is the InChIKey of N-ethyl-2-(7-methoxy-2,5-dimethyl-1H-indol-3-yl)ethanamine?
The InChIKey is OSCGKYPBAFIGRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O/c1-5-16-7-6-12-11(3)17-15-13(12)8-10(2)9-14(15)18-4/h8-9,16-17H,5-7H2,1-4H3.
What are the key properties of N-ethyl-2-(7-methoxy-2,5-dimethyl-1H-indol-3-yl)ethanamine?
N-ethyl-2-(7-methoxy-2,5-dimethyl-1H-indol-3-yl)ethanamine has a molecular weight of 246.35 g/mol, XLogP of 2.95, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(7-methoxy-2,5-dimethyl-1H-indol-3-yl)ethanamine is sourced from PubChem (CID 96675406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).