N-ethyl-2-(2,4,7-trimethyl-1H-indol-3-yl)ethanamine

C15H22N2 — CID 82495305

IUPACN-ethyl-2-(2,4,7-trimethyl-1H-indol-3-yl)ethanamine
SMILESCCNCCc1c(C)[nH]c2c(C)ccc(C)c12
InChIInChI=1S/C15H22N2/c1-5-16-9-8-13-12(4)17-15-11(3)7-6-10(2)14(13)15/h6-7,16-17H,5,8-9H2,1-4H3
InChIKeySDUXZHFDXGZINL-UHFFFAOYSA-N
MW230.35 g/mol
LogP3.25
Rot. Bonds4

About N-ethyl-2-(2,4,7-trimethyl-1H-indol-3-yl)ethanamine

N-ethyl-2-(2,4,7-trimethyl-1H-indol-3-yl)ethanamine (PubChem CID 82495305) has the molecular formula C15H22N2 and a molecular weight of 230.35 g/mol. Its IUPAC name is N-ethyl-2-(2,4,7-trimethyl-1H-indol-3-yl)ethanamine.

Molecular Properties

Compound NameN-ethyl-2-(2,4,7-trimethyl-1H-indol-3-yl)ethanamine
PubChem CID82495305
Molecular FormulaC15H22N2
Molecular Weight230.35 g/mol
Exact Mass230.18
IUPAC NameN-ethyl-2-(2,4,7-trimethyl-1H-indol-3-yl)ethanamine
SMILESCCNCCc1c(C)[nH]c2c(C)ccc(C)c12
InChIInChI=1S/C15H22N2/c1-5-16-9-8-13-12(4)17-15-11(3)7-6-10(2)14(13)15/h6-7,16-17H,5,8-9H2,1-4H3
InChIKeySDUXZHFDXGZINL-UHFFFAOYSA-N
XLogP3.25
TPSA27.82 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.35
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-(2,4,7-trimethyl-1H-indol-3-yl)propan-1-amine
CID 82393603
2-(4-chloro-2,7-dimethyl-1H-indol-3-yl)ethylazanium
CID 6983621
N-ethyl-2-(7-methoxy-2,5-dimethyl-1H-indol-3-yl)ethanamine
CID 96675406
N-[(2,7-dimethyl-1H-indol-3-yl)methyl]ethanamine
CID 65335557
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
3-[2-(diethylamino)ethyl]-2,7-dimethyl-1H-indol-4-ol
CID 176685867
2-(6-chloro-2-methyl-1H-indol-3-yl)-N-ethylethanamine
CID 82496918
N-[2-(7-fluoro-2,4-dimethyl-1H-indol-3-yl)ethyl]-5-methylthiophene-2-carboxamide
CID 25173160
2-(4-methoxy-2,7-dimethyl-1H-indol-3-yl)ethanamine
CID 105472778
3-(7-methoxy-2,4-dimethyl-1H-indol-3-yl)propan-1-ol
CID 82496131
1-(4-chloro-2,7-dimethyl-1H-indol-3-yl)-N-methylmethanamine
CID 83868286

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(2,4,7-trimethyl-1H-indol-3-yl)ethanamine?
The IUPAC name of N-ethyl-2-(2,4,7-trimethyl-1H-indol-3-yl)ethanamine (CID 82495305) is N-ethyl-2-(2,4,7-trimethyl-1H-indol-3-yl)ethanamine.
What is the SMILES notation for N-ethyl-2-(2,4,7-trimethyl-1H-indol-3-yl)ethanamine?
The canonical SMILES for N-ethyl-2-(2,4,7-trimethyl-1H-indol-3-yl)ethanamine is CCNCCc1c(C)[nH]c2c(C)ccc(C)c12.
What is the InChIKey of N-ethyl-2-(2,4,7-trimethyl-1H-indol-3-yl)ethanamine?
The InChIKey is SDUXZHFDXGZINL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2/c1-5-16-9-8-13-12(4)17-15-11(3)7-6-10(2)14(13)15/h6-7,16-17H,5,8-9H2,1-4H3.
What are the key properties of N-ethyl-2-(2,4,7-trimethyl-1H-indol-3-yl)ethanamine?
N-ethyl-2-(2,4,7-trimethyl-1H-indol-3-yl)ethanamine has a molecular weight of 230.35 g/mol, XLogP of 3.25, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(2,4,7-trimethyl-1H-indol-3-yl)ethanamine is sourced from PubChem (CID 82495305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).